D063-0943 Screening compound: 7-methyl-2-[(oxolan-2-yl)methyl]-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

D063-0943 Screening compound: 7-methyl-2-[(oxolan-2-yl)methyl]-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
D063-0943 Screening compound: 7-methyl-2-[(oxolan-2-yl)methyl]-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 D063-0943
7-methyl-2-[(oxolan-2-yl)methyl]-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

D063-0943

Molecular Formula

C27H24N2O5 (C27 H24 N2 O5)

Compound Name

7-methyl-2-[(oxolan-2-yl)methyl]-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

7-methyl-2-[(oxolan-2-yl)methyl]-1'-(prop-2-en-1-yl)-1'2'39-tetrahydro-2H-spiro[chromeno[23-c]pyrrole-13'-indole]-2'39-trione

SMILES

Cc(cc1)cc2c1OC(C(N(CC1OCCC1)C1(c(cccc3)c3N3CC=C)C3=O)=O)=C1C2=O

InChI

InChI=1S/C27H24N2O5/c1-3-12-28-20-9-5-4-8-19(20)27(26(28)32)22-23(30)18-14-16(2)10-11-21(18)34-24(22)25(31)29(27)15-17-7-6-13-33-17/h3-5,8-11,14,17H,1,6-7,12-13,15H2,2H3

InChI Key

DGDZRPQUDYMEAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.324

Distribution Coefficient, logD

3.324

Water Solubility, LogSw

-3.96

Polar Surface Area

60.540

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

D063-0943 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)

Targeted Diversity Library (40567 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 D063-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D063-0943?
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What is the minimum amount of D063-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D063-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D063-0943
  • 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 D063-0943 available by request