8012-9484 Screening compound: 3-[(2-bromobenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine

8012-9484 Screening compound: 3-[(2-bromobenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
8012-9484 Screening compound: 3-[(2-bromobenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9484
3-[(2-bromobenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazol-4-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

8012-9484

Molecular Formula

C10H8BrF3N4S (C10 H8 BrF3 N4 S)

Compound Name

3-[(2-bromobenzyl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine

IUPAC name

3-{[(2-bromophenyl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-124-triazol-4-amine

SMILES

Nn1c(SCc(cccc2)c2Br)nnc1C(F)(F)F

InChI

InChI=1S/C10H8BrF3N4S/c11-7-4-2-1-3-6(7)5-19-9-17-16-8(18(9)15)10(12,13)14/h1-4H,5,15H2

InChI Key

DALXFJNRSRUEAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.17

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.921

Water Solubility, LogSw

-3.03

Polar Surface Area

42.411

Acid Dissociation Constant (pKa)

19.55

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 8012-9484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9484?
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What is the minimum amount of 8012-9484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9484
  • 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 8012-9484 available by request