Y031-3938 Screening compound: 1-(3-chloro-4-methylphenyl)-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide

Y031-3938 Screening compound: 1-(3-chloro-4-methylphenyl)-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide
Y031-3938 Screening compound: 1-(3-chloro-4-methylphenyl)-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3938
1-(3-chloro-4-methylphenyl)-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-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

Y031-3938

Molecular Formula

C18H18ClN3O2 (C18 H18 ClN3 O2)

Compound Name

1-(3-chloro-4-methylphenyl)-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide

IUPAC name

1-(3-chloro-4-methylphenyl)-5-oxo-N-[(pyridin-3-yl)methyl]pyrrolidine-3-carboxamide

SMILES

Cc(ccc(N(CC(C1)C(NCc2cnccc2)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C18H18ClN3O2/c1-12-4-5-15(8-16(12)19)22-11-14(7-17(22)23)18(24)21-10-13-3-2-6-20-9-13/h2-6,8-9,14H,7,10-11H2,1H3,(H,21,24)/t14-/m1/s1

InChI Key

DCOAPPZXDLRCTH-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-2.85

Polar Surface Area

50.919

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with Y031-3938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3938?
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What is the minimum amount of Y031-3938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3938
  • 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 Y031-3938 available by request