Y031-4576 Screening compound: N-(2-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

Y031-4576 Screening compound: N-(2-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
Y031-4576 Screening compound: N-(2-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4576
N-(2-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-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

Y031-4576

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

N-(2-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

IUPAC name

N-(2-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

SMILES

Cc(cc1)ccc1N(CC(C1)C(N(CC2)CCC2C(Nc2c(C)cccc2)=O)=O)C1=O

InChI

InChI=1S/C25H29N3O3/c1-17-7-9-21(10-8-17)28-16-20(15-23(28)29)25(31)27-13-11-19(12-14-27)24(30)26-22-6-4-3-5-18(22)2/h3-10,19-20H,11-16H2,1-2H3,(H,26,30)/t20-/m1/s1

InChI Key

CPYDCPQWUIGMKT-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD08091634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-2.85

Polar Surface Area

56.030

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y031-4576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4576?
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What is the minimum amount of Y031-4576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4576
  • 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 Y031-4576 available by request