D063-1003 Screening compound: 2-(3-hydroxypropyl)-6,7-dimethyl-1'-(prop-2-en-1-yl)-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

D063-1003 Screening compound: 2-(3-hydroxypropyl)-6,7-dimethyl-1'-(prop-2-en-1-yl)-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
D063-1003 Screening compound: 2-(3-hydroxypropyl)-6,7-dimethyl-1'-(prop-2-en-1-yl)-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D063-1003
2-(3-hydroxypropyl)-6,7-dimethyl-1'-(prop-2-en-1-yl)-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D063-1003

Molecular Formula

C26H24N2O5 (C26 H24 N2 O5)

Compound Name

2-(3-hydroxypropyl)-6,7-dimethyl-1'-(prop-2-en-1-yl)-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

IUPAC name

2-(3-hydroxypropyl)-67-dimethyl-1'-(prop-2-en-1-yl)-1'2'39-tetrahydro-2H-spiro[chromeno[23-c]pyrrole-13'-indole]-2'39-trione

SMILES

Cc(c(C)c1)cc2c1OC(C(N(CCCO)C1(c(cccc3)c3N3CC=C)C3=O)=O)=C1C2=O

InChI

InChI=1S/C26H24N2O5/c1-4-10-27-19-9-6-5-8-18(19)26(25(27)32)21-22(30)17-13-15(2)16(3)14-20(17)33-23(21)24(31)28(26)11-7-12-29/h4-6,8-9,13-14,29H,1,7,10-12H2,2-3H3/t26-/m0/s1

InChI Key

NVMICVGCHBPDJQ-SANMLTNESA-N

MDL Number (MFCD)

MFCD07425852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.474

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-3.81

Polar Surface Area

68.791

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

D063-1003 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D063-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D063-1003?
Check Price and Availability of D063-1003, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D063-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D063-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D063-1003
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D063-1003 available by request