Y040-4935 Screening compound: N-(4-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)benzenesulfonamide

Y040-4935 Screening compound: N-(4-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)benzenesulfonamide
Y040-4935 Screening compound: N-(4-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4935
N-(4-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)benzenesulfonamide

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

Y040-4935

Molecular Formula

C22H24N4O4S2 (C22 H24 N4 O4 S2)

Compound Name

N-(4-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)benzenesulfonamide

IUPAC name

N-(4-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-13-thiazol-2-yl)benzenesulfonamide

SMILES

COc(cc1)ccc1N(CC1)CCN1C(Cc1csc(NS(c2ccccc2)(=O)=O)n1)=O

InChI

InChI=1S/C22H24N4O4S2/c1-30-19-9-7-18(8-10-19)25-11-13-26(14-12-25)21(27)15-17-16-31-22(23-17)24-32(28,29)20-5-3-2-4-6-20/h2-10,16H,11-15H2,1H3,(H,23,24)

InChI Key

SSQITQQTHVGEEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08954807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.276

Distribution Coefficient, logD

1.639

Water Solubility, LogSw

-3.67

Polar Surface Area

78.355

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y040-4935 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-4935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4935?
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What is the minimum amount of Y040-4935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4935
  • 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 Y040-4935 available by request