D658-0113 Screening compound: 7-chloro-1-(4-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D658-0113 Screening compound: 7-chloro-1-(4-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D658-0113 Screening compound: 7-chloro-1-(4-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D658-0113
7-chloro-1-(4-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

D658-0113

Molecular Formula

C24H23ClN2O5 (C24 H23 ClN2 O5)

Compound Name

7-chloro-1-(4-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

7-chloro-1-(4-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Oc1ccc(C(C2=C3Oc(ccc(Cl)c4)c4C2=O)N(CCCN2CCOCC2)C3=O)cc1

InChI

InChI=1S/C24H23ClN2O5/c25-16-4-7-19-18(14-16)22(29)20-21(15-2-5-17(28)6-3-15)27(24(30)23(20)32-19)9-1-8-26-10-12-31-13-11-26/h2-7,14,21,28H,1,8-13H2/t21-/m1/s1

InChI Key

PDUIBYFNRAKJBR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06320792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.91

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

2.719

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-3.49

Polar Surface Area

66.219

Acid Dissociation Constant (pKa)

9.96

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D658-0113 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D658-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D658-0113?
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What is the minimum amount of D658-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D658-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D658-0113
  • 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 D658-0113 available by request