8139-0287 Screening compound: 1-(3-chlorophenyl)-3-{[1-(4-methoxybenzoyl)piperidin-4-yl]amino}pyrrolidine-2,5-dione

8139-0287 Screening compound: 1-(3-chlorophenyl)-3-{[1-(4-methoxybenzoyl)piperidin-4-yl]amino}pyrrolidine-2,5-dione
8139-0287 Screening compound: 1-(3-chlorophenyl)-3-{[1-(4-methoxybenzoyl)piperidin-4-yl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8139-0287
1-(3-chlorophenyl)-3-{[1-(4-methoxybenzoyl)piperidin-4-yl]amino}pyrrolidine-2,5-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

8139-0287

Molecular Formula

C23H24ClN3O4 (C23 H24 ClN3 O4)

Compound Name

1-(3-chlorophenyl)-3-{[1-(4-methoxybenzoyl)piperidin-4-yl]amino}pyrrolidine-2,5-dione

IUPAC name

1-(3-chlorophenyl)-3-{[1-(4-methoxybenzoyl)piperidin-4-yl]amino}pyrrolidine-25-dione

SMILES

COc(cc1)ccc1C(N(CC1)CCC1NC(CC(N1c2cccc(Cl)c2)=O)C1=O)=O

InChI

InChI=1S/C23H24ClN3O4/c1-31-19-7-5-15(6-8-19)22(29)26-11-9-17(10-12-26)25-20-14-21(28)27(23(20)30)18-4-2-3-16(24)13-18/h2-8,13,17,20,25H,9-12,14H2,1H3/t20-/m1/s1

InChI Key

AIPMWMAWCQNJRO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06017094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.941

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-3.01

Polar Surface Area

64.634

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

8139-0287 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 8139-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8139-0287?
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What is the minimum amount of 8139-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8139-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8139-0287
  • 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 8139-0287 available by request