D658-0117 Screening compound: 7-chloro-1-(4-hydroxy-3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D658-0117 Screening compound: 7-chloro-1-(4-hydroxy-3-methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D658-0117 Screening compound: 7-chloro-1-(4-hydroxy-3-methoxyphenyl)-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 D658-0117
7-chloro-1-(4-hydroxy-3-methoxyphenyl)-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

D658-0117

Molecular Formula

C25H25ClN2O6 (C25 H25 ClN2 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(C(C1=C2Oc(ccc(Cl)c3)c3C1=O)N(CCCN1CCOCC1)C2=O)cc1)c1O

InChI

InChI=1S/C25H25ClN2O6/c1-32-20-13-15(3-5-18(20)29)22-21-23(30)17-14-16(26)4-6-19(17)34-24(21)25(31)28(22)8-2-7-27-9-11-33-12-10-27/h3-6,13-14,22,29H,2,7-12H2,1H3/t22-/m1/s1

InChI Key

AXQKHDILJADSMS-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06320795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.584

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-3.37

Polar Surface Area

72.781

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D658-0117 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D658-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D658-0117?
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What is the minimum amount of D658-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D658-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D658-0117
  • 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 D658-0117 available by request