D658-0143 Screening compound: 1-(4-tert-butylphenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D658-0143 Screening compound: 1-(4-tert-butylphenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D658-0143 Screening compound: 1-(4-tert-butylphenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D658-0143
1-(4-tert-butylphenyl)-7-chloro-2-[3-(dimethylamino)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

D658-0143

Molecular Formula

C26H29ClN2O3 (C26 H29 ClN2 O3)

Compound Name

1-(4-tert-butylphenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

1-(4-tert-butylphenyl)-7-chloro-2-[3-(dimethylamino)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)(C)c1ccc(C(C2=C3Oc(ccc(Cl)c4)c4C2=O)N(CCCN(C)C)C3=O)cc1

InChI

InChI=1S/C26H29ClN2O3/c1-26(2,3)17-9-7-16(8-10-17)22-21-23(30)19-15-18(27)11-12-20(19)32-24(21)25(31)29(22)14-6-13-28(4)5/h7-12,15,22H,6,13-14H2,1-5H3/t22-/m1/s1

InChI Key

YBTYKVSPERYRQV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05937471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-5.80

Polar Surface Area

40.849

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D658-0143 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune 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 D658-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D658-0143?
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What is the minimum amount of D658-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D658-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D658-0143
  • 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 D658-0143 available by request