Y031-1380 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-ethoxypropanamide

Y031-1380 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-ethoxypropanamide
Y031-1380 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-ethoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1380
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-3-ethoxypropanamide

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

Y031-1380

Molecular Formula

C20H20Cl2N2O2 (C20 H20 Cl2 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOCCC(Nc1cc(Cl)c(C(c(cc2)ccc2Cl)C#N)cc1C)=O

InChI

InChI=1S/C20H20Cl2N2O2/c1-3-26-9-8-20(25)24-19-11-18(22)16(10-13(19)2)17(12-23)14-4-6-15(21)7-5-14/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,24,25)/t17-/m0/s1

InChI Key

KBWCODMSLSTRNF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD06154919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-4.72

Polar Surface Area

47.452

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

Y031-1380 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1380?
Check Price and Availability of Y031-1380, 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 Y031-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1380
  • 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 Y031-1380 available by request