Y600-2182 Screening compound: methyl 3-{[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl}propanoate

Y600-2182 Screening compound: methyl 3-{[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl}propanoate
Y600-2182 Screening compound: methyl 3-{[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2182
methyl 3-{[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl}propanoate

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

Y600-2182

Molecular Formula

C19H18ClNO4S (C19 H18 ClNO4 S)

Compound Name

methyl 3-{[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]sulfanyl}propanoate

IUPAC name

methyl 3-({[(2-benzoyl-4-chlorophenyl)carbamoyl]methyl}sulfanyl)propanoate

SMILES

COC(CCSCC(Nc(ccc(Cl)c1)c1C(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C19H18ClNO4S/c1-25-18(23)9-10-26-12-17(22)21-16-8-7-14(20)11-15(16)19(24)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,21,22)

InChI Key

UOHRKSYVDMGSDG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-4.10

Polar Surface Area

56.736

Acid Dissociation Constant (pKa)

8.55

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with Y600-2182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2182?
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What is the minimum amount of Y600-2182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2182
  • 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 Y600-2182 available by request