Y031-3428 Screening compound: 2-[2-(2-chloro-6-fluorophenyl)acetamido]-N-cyclohexylbenzamide

Y031-3428 Screening compound: 2-[2-(2-chloro-6-fluorophenyl)acetamido]-N-cyclohexylbenzamide
Y031-3428 Screening compound: 2-[2-(2-chloro-6-fluorophenyl)acetamido]-N-cyclohexylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3428
2-[2-(2-chloro-6-fluorophenyl)acetamido]-N-cyclohexylbenzamide

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

Y031-3428

Molecular Formula

C21H22ClFN2O2 (C21 H22 ClFN2 O2)

Compound Name

2-[2-(2-chloro-6-fluorophenyl)acetamido]-N-cyclohexylbenzamide

IUPAC name

2-[2-(2-chloro-6-fluorophenyl)acetamido]-N-cyclohexylbenzamide

SMILES

O=C(Cc(c(F)ccc1)c1Cl)Nc(cccc1)c1C(NC1CCCCC1)=O

InChI

InChI=1S/C21H22ClFN2O2/c22-17-10-6-11-18(23)16(17)13-20(26)25-19-12-5-4-9-15(19)21(27)24-14-7-2-1-3-8-14/h4-6,9-12,14H,1-3,7-8,13H2,(H,24,27)(H,25,26)

InChI Key

MXOIYRFZUSOELX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07152553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.585

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.75

Polar Surface Area

46.557

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y031-3428 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-3428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3428?
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What is the minimum amount of Y031-3428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3428
  • 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 Y031-3428 available by request