C595-0833 Screening compound: 1-(2,5-difluorophenyl)-4-(3,4-dimethylbenzenesulfonyl)-5-methyl-1H-1,2,3-triazole

C595-0833 Screening compound: 1-(2,5-difluorophenyl)-4-(3,4-dimethylbenzenesulfonyl)-5-methyl-1H-1,2,3-triazole
C595-0833 Screening compound: 1-(2,5-difluorophenyl)-4-(3,4-dimethylbenzenesulfonyl)-5-methyl-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C595-0833
1-(2,5-difluorophenyl)-4-(3,4-dimethylbenzenesulfonyl)-5-methyl-1H-1,2,3-triazole

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

C595-0833

Molecular Formula

C17H15F2N3O2S (C17 H15 F2 N3 O2 S)

Compound Name

1-(2,5-difluorophenyl)-4-(3,4-dimethylbenzenesulfonyl)-5-methyl-1H-1,2,3-triazole

IUPAC name

1-(25-difluorophenyl)-4-(34-dimethylbenzenesulfonyl)-5-methyl-1H-123-triazole

SMILES

Cc(n(-c(cc(cc1)F)c1F)nn1)c1S(c1cc(C)c(C)cc1)(=O)=O

InChI

InChI=1S/C17H15F2N3O2S/c1-10-4-6-14(8-11(10)2)25(23,24)17-12(3)22(21-20-17)16-9-13(18)5-7-15(16)19/h4-9H,1-3H3

InChI Key

KRKJCPNHIGAXPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08539817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.953

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.05

Polar Surface Area

56.056

Acid Dissociation Constant (pKa)

20.96

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C595-0833 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C595-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C595-0833?
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What is the minimum amount of C595-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C595-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C595-0833
  • 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 C595-0833 available by request