8013-0956 Screening compound: 1-(4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]amino}pyrrolidine-2,5-dione

8013-0956 Screening compound: 1-(4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]amino}pyrrolidine-2,5-dione
8013-0956 Screening compound: 1-(4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0956
1-(4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]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

8013-0956

Molecular Formula

C17H16ClN3O2 (C17 H16 ClN3 O2)

Compound Name

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

IUPAC name

1-(4-chlorophenyl)-3-{[2-(pyridin-2-yl)ethyl]amino}pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)NCCc2ncccc2)N1c(cc1)ccc1Cl

InChI

InChI=1S/C17H16ClN3O2/c18-12-4-6-14(7-5-12)21-16(22)11-15(17(21)23)20-10-8-13-3-1-2-9-19-13/h1-7,9,15,20H,8,10-11H2/t15-/m1/s1

InChI Key

YQRBVEOZZOEFME-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03271633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.894

Distribution Coefficient, logD

0.891

Water Solubility, LogSw

-2.32

Polar Surface Area

50.294

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

8013-0956 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8013-0956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0956?
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What is the minimum amount of 8013-0956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0956
  • 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 8013-0956 available by request