Y031-6607 Screening compound: 1-(2-methylphenyl)-5-oxo-N-(pyrimidin-2-yl)pyrrolidine-3-carboxamide

Y031-6607 Screening compound: 1-(2-methylphenyl)-5-oxo-N-(pyrimidin-2-yl)pyrrolidine-3-carboxamide
Y031-6607 Screening compound: 1-(2-methylphenyl)-5-oxo-N-(pyrimidin-2-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6607
1-(2-methylphenyl)-5-oxo-N-(pyrimidin-2-yl)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

Y031-6607

Molecular Formula

C16H16N4O2 (C16 H16 N4 O2)

Compound Name

1-(2-methylphenyl)-5-oxo-N-(pyrimidin-2-yl)pyrrolidine-3-carboxamide

IUPAC name

1-(2-methylphenyl)-5-oxo-N-(pyrimidin-2-yl)pyrrolidine-3-carboxamide

SMILES

Cc(cccc1)c1N(CC(C1)C(Nc2ncccn2)=O)C1=O

InChI

InChI=1S/C16H16N4O2/c1-11-5-2-3-6-13(11)20-10-12(9-14(20)21)15(22)19-16-17-7-4-8-18-16/h2-8,12H,9-10H2,1H3,(H,17,18,19,22)/t12-/m1/s1

InChI Key

KRXWRPHFLMWLQV-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD08090194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.823

Distribution Coefficient, logD

0.785

Water Solubility, LogSw

-1.73

Polar Surface Area

60.348

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y031-6607 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y031-6607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6607?
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What is the minimum amount of Y031-6607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6607
  • 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 Y031-6607 available by request