Y031-0632 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-phenoxybutanamide

Y031-0632 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-phenoxybutanamide
Y031-0632 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-phenoxybutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0632
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-phenoxybutanamide

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

Y031-0632

Molecular Formula

C25H22Cl2N2O2 (C25 H22 Cl2 N2 O2)

Compound Name

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-phenoxybutanamide

IUPAC name

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-4-phenoxybutanamide

SMILES

Cc(c(NC(CCCOc1ccccc1)=O)c1)cc(C(c(cc2)ccc2Cl)C#N)c1Cl

InChI

InChI=1S/C25H22Cl2N2O2/c1-17-14-21(22(16-28)18-9-11-19(26)12-10-18)23(27)15-24(17)29-25(30)8-5-13-31-20-6-3-2-4-7-20/h2-4,6-7,9-12,14-15,22H,5,8,13H2,1H3,(H,29,30)/t22-/m0/s1

InChI Key

AEEABPQYWFYAEZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD05996910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.885

Distribution Coefficient, logD

5.885

Water Solubility, LogSw

-6.08

Polar Surface Area

46.621

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y031-0632 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0632?
Check Price and Availability of Y031-0632, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0632
  • 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 Y031-0632 available by request