Y031-0585 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-methoxy-4-(methylsulfanyl)benzamide

Y031-0585 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-methoxy-4-(methylsulfanyl)benzamide
Y031-0585 Screening compound: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-methoxy-4-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0585
N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-methoxy-4-(methylsulfanyl)benzamide

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

Y031-0585

Molecular Formula

C24H20Cl2N2O2S (C24 H20 Cl2 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(c(ccc(SC)c1)c1OC)=O)c1)cc(C(c(cc2)ccc2Cl)C#N)c1Cl

InChI

InChI=1S/C24H20Cl2N2O2S/c1-14-10-19(20(13-27)15-4-6-16(25)7-5-15)21(26)12-22(14)28-24(29)18-9-8-17(31-3)11-23(18)30-2/h4-12,20H,1-3H3,(H,28,29)/t20-/m0/s1

InChI Key

SVWGEPHADFUPKR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06152449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.452

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-6.35

Polar Surface Area

47.047

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with Y031-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0585?
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What is the minimum amount of Y031-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0585
  • 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 Y031-0585 available by request