8012-8961 Screening compound: 1-(4-chlorophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione

8012-8961 Screening compound: 1-(4-chlorophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
8012-8961 Screening compound: 1-(4-chlorophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-8961
1-(4-chlorophenyl)-3-(cyclopentylamino)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

8012-8961

Molecular Formula

C15H17ClN2O2 (C15 H17 ClN2 O2)

Compound Name

1-(4-chlorophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione

IUPAC name

1-(4-chlorophenyl)-3-(cyclopentylamino)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)NC2CCCC2)N1c(cc1)ccc1Cl

InChI

InChI=1S/C15H17ClN2O2/c16-10-5-7-12(8-6-10)18-14(19)9-13(15(18)20)17-11-3-1-2-4-11/h5-8,11,13,17H,1-4,9H2/t13-/m1/s1

InChI Key

YOXSBUBHYQJYRR-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02029717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.083

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-2.96

Polar Surface Area

41.000

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

8012-8961 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-8961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-8961?
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What is the minimum amount of 8012-8961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-8961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-8961
  • 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 8012-8961 available by request