C200-3105 Screening compound: 1-[3-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]-5-METHYL-4-(4-METHYLBENZENESULFONYL)-1H-1,2,3-TRIAZOLE

C200-3105 Screening compound: 1-[3-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]-5-METHYL-4-(4-METHYLBENZENESULFONYL)-1H-1,2,3-TRIAZOLE
C200-3105 Screening compound: 1-[3-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]-5-METHYL-4-(4-METHYLBENZENESULFONYL)-1H-1,2,3-TRIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3105
1-[3-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]-5-METHYL-4-(4-METHYLBENZENESULFONYL)-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

C200-3105

Molecular Formula

C17H13ClF3N3O2S (C17 H13 ClF3 N3 O2 S)

Compound Name

1-[3-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]-5-METHYL-4-(4-METHYLBENZENESULFONYL)-1H-1,2,3-TRIAZOLE

IUPAC name

n/a

SMILES

Cc(n(-c1cc(Cl)c(C(F)(F)F)cc1)nn1)c1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C17H13ClF3N3O2S/c1-10-3-6-13(7-4-10)27(25,26)16-11(2)24(23-22-16)12-5-8-14(15(18)9-12)17(19,20)21/h3-9H,1-2H3

InChI Key

XMJHTNNWBMRIQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06751242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-5.06

Polar Surface Area

56.357

Acid Dissociation Constant (pKa)

21.19

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

C200-3105 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 C200-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3105?
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What is the minimum amount of C200-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3105
  • 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 C200-3105 available by request