D063-1002 Screening compound: 2-(2-methoxyethyl)-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

D063-1002 Screening compound: 2-(2-methoxyethyl)-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
D063-1002 Screening compound: 2-(2-methoxyethyl)-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 D063-1002
2-(2-methoxyethyl)-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

D063-1002

Molecular Formula

C26H24N2O5 (C26 H24 N2 O5)

Compound Name

2-(2-methoxyethyl)-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-(2-methoxyethyl)-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(CCOC)C1(c(cccc3)c3N3CC=C)C3=O)=O)=C1C2=O

InChI

InChI=1S/C26H24N2O5/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/h5-9,13-14H,1,10-12H2,2-4H3/t26-/m0/s1

InChI Key

UTEPMJNWKSFDBE-SANMLTNESA-N

MDL Number (MFCD)

MFCD06648696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

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

3.815

Distribution Coefficient, logD

3.815

Water Solubility, LogSw

-4.00

Polar Surface Area

60.478

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

D063-1002 in Drug Discovery

Included in Screening Libraries

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 D063-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D063-1002?
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What is the minimum amount of D063-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D063-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D063-1002
  • 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 D063-1002 available by request