Y031-5064 Screening compound: N-(2-benzoyl-4-chlorophenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide

Y031-5064 Screening compound: N-(2-benzoyl-4-chlorophenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
Y031-5064 Screening compound: N-(2-benzoyl-4-chlorophenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5064
N-(2-benzoyl-4-chlorophenyl)-1-(4-chlorobenzoyl)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

Y031-5064

Molecular Formula

C26H22Cl2N2O3 (C26 H22 Cl2 N2 O3)

Compound Name

N-(2-benzoyl-4-chlorophenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide

IUPAC name

N-(2-benzoyl-4-chlorophenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c(cc1)ccc1Cl)=O)Nc(ccc(Cl)c1)c1C(c1ccccc1)=O

InChI

InChI=1S/C26H22Cl2N2O3/c27-20-8-6-19(7-9-20)26(33)30-14-12-18(13-15-30)25(32)29-23-11-10-21(28)16-22(23)24(31)17-4-2-1-3-5-17/h1-11,16,18H,12-15H2,(H,29,32)

InChI Key

VBKKPHGIRYZBOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08129399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.915

Distribution Coefficient, logD

4.893

Water Solubility, LogSw

-5.12

Polar Surface Area

52.747

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

Y031-5064 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-5064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5064?
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What is the minimum amount of Y031-5064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5064
  • 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 Y031-5064 available by request