Y031-5932 Screening compound: methyl 4-[1-(2,2-dimethylpropanoyl)piperidine-4-amido]benzoate

Y031-5932 Screening compound: methyl 4-[1-(2,2-dimethylpropanoyl)piperidine-4-amido]benzoate
Y031-5932 Screening compound: methyl 4-[1-(2,2-dimethylpropanoyl)piperidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5932
methyl 4-[1-(2,2-dimethylpropanoyl)piperidine-4-amido]benzoate

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

Y031-5932

Molecular Formula

C19H26N2O4 (C19 H26 N2 O4)

Compound Name

methyl 4-[1-(2,2-dimethylpropanoyl)piperidine-4-amido]benzoate

IUPAC name

methyl 4-[1-(22-dimethylpropanoyl)piperidine-4-amido]benzoate

SMILES

CC(C)(C)C(N(CC1)CCC1C(Nc(cc1)ccc1C(OC)=O)=O)=O

InChI

InChI=1S/C19H26N2O4/c1-19(2,3)18(24)21-11-9-13(10-12-21)16(22)20-15-7-5-14(6-8-15)17(23)25-4/h5-8,13H,9-12H2,1-4H3,(H,20,22)

InChI Key

KVWWVHAMEFZQKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08255653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.563

Distribution Coefficient, logD

2.563

Water Solubility, LogSw

-2.87

Polar Surface Area

61.423

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

Y031-5932 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y031-5932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5932?
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What is the minimum amount of Y031-5932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5932
  • 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 Y031-5932 available by request