D063-0995 Screening compound: 2-(2-methoxyethyl)-6,7-dimethyl-1'-propyl-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

D063-0995 Screening compound: 2-(2-methoxyethyl)-6,7-dimethyl-1'-propyl-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
D063-0995 Screening compound: 2-(2-methoxyethyl)-6,7-dimethyl-1'-propyl-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 D063-0995
2-(2-methoxyethyl)-6,7-dimethyl-1'-propyl-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

D063-0995

Molecular Formula

C26H26N2O5 (C26 H26 N2 O5)

Compound Name

2-(2-methoxyethyl)-6,7-dimethyl-1'-propyl-1',2',3,9-tetrahydro-2H-spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

IUPAC name

2-(2-methoxyethyl)-67-dimethyl-1'-propyl-1'2'39-tetrahydro-2H-spiro[chromeno[23-c]pyrrole-13'-indole]-2'39-trione

SMILES

CCCN(C(C1(C2=C3Oc(cc(C)c(C)c4)c4C2=O)N(CCOC)C3=O)=O)c2c1cccc2

InChI

InChI=1S/C26H26N2O5/c1-5-10-27-19-9-7-6-8-18(19)26(25(27)31)21-22(29)17-13-15(2)16(3)14-20(17)33-23(21)24(30)28(26)11-12-32-4/h6-9,13-14H,5,10-12H2,1-4H3/t26-/m0/s1

InChI Key

SXIOOJOFDHPYBA-SANMLTNESA-N

MDL Number (MFCD)

MFCD06645607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.28

Polar Surface Area

60.478

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D063-0995 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 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

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D063-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D063-0995?
Check Price and Availability of D063-0995, 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 D063-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D063-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D063-0995
  • 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 D063-0995 available by request