V013-9994 Screening compound: N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

V013-9994 Screening compound: N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
V013-9994 Screening compound: N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9994
N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

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

V013-9994

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

N-(35-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1cccc(N(CC(C2)C(Nc3cc(C)cc(C)c3)=O)C2=O)c1

InChI

InChI=1S/C20H22N2O2/c1-13-5-4-6-18(10-13)22-12-16(11-19(22)23)20(24)21-17-8-14(2)7-15(3)9-17/h4-10,16H,11-12H2,1-3H3,(H,21,24)/t16-/m1/s1

InChI Key

XKFIUJRRUGOOKR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD06132227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.425

Distribution Coefficient, logD

3.425

Water Solubility, LogSw

-3.47

Polar Surface Area

40.080

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

V013-9994 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V013-9994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9994?
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What is the minimum amount of V013-9994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9994
  • 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 V013-9994 available by request