Y031-0556 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-phenylpropanamide

Y031-0556 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-phenylpropanamide
Y031-0556 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0556
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-phenylpropanamide

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

Y031-0556

Molecular Formula

C24H20Cl2N2O (C24 H20 Cl2 N2 O)

Compound Name

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-phenylpropanamide

IUPAC name

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-phenylpropanamide

SMILES

Cc(c(NC(CCc1ccccc1)=O)c1)cc(C(c(cc2)ccc2Cl)C#N)c1Cl

InChI

InChI=1S/C24H20Cl2N2O/c1-16-13-20(21(15-27)18-8-10-19(25)11-9-18)22(26)14-23(16)28-24(29)12-7-17-5-3-2-4-6-17/h2-6,8-11,13-14,21H,7,12H2,1H3,(H,28,29)/t21-/m0/s1

InChI Key

XDTFPRFUALJAMK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05996886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.018

Distribution Coefficient, logD

6.017

Water Solubility, LogSw

-6.19

Polar Surface Area

39.203

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

Y031-0556 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with Y031-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0556?
Check Price and Availability of Y031-0556, 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 Y031-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0556
  • 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 Y031-0556 available by request