Y031-3935 Screening compound: 1-(3-chloro-4-methylphenyl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide

Y031-3935 Screening compound: 1-(3-chloro-4-methylphenyl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
Y031-3935 Screening compound: 1-(3-chloro-4-methylphenyl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3935
1-(3-chloro-4-methylphenyl)-N-(4-methylpyridin-2-yl)-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

Y031-3935

Molecular Formula

C18H18ClN3O2 (C18 H18 ClN3 O2)

Compound Name

1-(3-chloro-4-methylphenyl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(3-chloro-4-methylphenyl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1cc(NC(C(CC2=O)CN2c2cc(Cl)c(C)cc2)=O)ncc1

InChI

InChI=1S/C18H18ClN3O2/c1-11-5-6-20-16(7-11)21-18(24)13-8-17(23)22(10-13)14-4-3-12(2)15(19)9-14/h3-7,9,13H,8,10H2,1-2H3,(H,20,21,24)/t13-/m1/s1

InChI Key

VDMIREUIBRYUND-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD08090402

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

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.25

Polar Surface Area

49.694

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

Y031-3935 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-3935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3935?
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What is the minimum amount of Y031-3935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3935
  • 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 Y031-3935 available by request