Y501-8032 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Y501-8032 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Chemical Structure Depiction of ChemDiv screening compound Y501-8032
N-(3-chloro-4-fluorophenyl)-2-{[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

Y501-8032

Molecular Formula

C20H15Cl2FN6OS (C20 H15 Cl2 FN6 OS)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

2-{[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N-(3-chloro-4-fluorophenyl)acetamide

SMILES

Cn(cc1Cl)nc1-c(n1-c2ccccc2)nnc1SCC(Nc(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C20H15Cl2FN6OS/c1-28-10-15(22)18(27-28)19-25-26-20(29(19)13-5-3-2-4-6-13)31-11-17(30)24-12-7-8-16(23)14(21)9-12/h2-10H,11H2,1H3,(H,24,30)

InChI Key

XLEKGICBMWVCPK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.043

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-4.26

Polar Surface Area

63.217

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with Y501-8032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y501-8032?
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What is the minimum amount of Y501-8032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y501-8032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y501-8032
  • 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 Y501-8032 available by request