8016-5540 Screening compound: 4-[(4-methylphenyl)sulfonyl]-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine

8016-5540 Screening compound: 4-[(4-methylphenyl)sulfonyl]-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine
8016-5540 Screening compound: 4-[(4-methylphenyl)sulfonyl]-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5540
4-[(4-methylphenyl)sulfonyl]-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine

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

8016-5540

Molecular Formula

C16H13F3N4O2S (C16 H13 F3 N4 O2 S)

Compound Name

4-[(4-methylphenyl)sulfonyl]-1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-amine

IUPAC name

4-(4-methylbenzenesulfonyl)-1-[2-(trifluoromethyl)phenyl]-1H-123-triazol-5-amine

SMILES

Cc(cc1)ccc1S(c1c(N)n(-c2c(C(F)(F)F)cccc2)nn1)(=O)=O

InChI

InChI=1S/C16H13F3N4O2S/c1-10-6-8-11(9-7-10)26(24,25)15-14(20)23(22-21-15)13-5-3-2-4-12(13)16(17,18)19/h2-9H,20H2,1H3

InChI Key

CMEKJTSCGCTWCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-4.03

Polar Surface Area

75.307

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8016-5540 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-5540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5540?
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What is the minimum amount of 8016-5540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5540
  • 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 8016-5540 available by request