K784-7490 Screening compound: 6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

K784-7490 Screening compound: 6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
K784-7490 Screening compound: 6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7490
6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

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

K784-7490

Molecular Formula

C21H18ClFN4S (C21 H18 ClFN4 S)

Compound Name

6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

6-benzyl-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-57-dimethyl-[124]triazolo[15-a]pyrimidine

SMILES

Cc1c(Cc2ccccc2)c(C)nc2nc(SCc(c(F)ccc3)c3Cl)nn12

InChI

InChI=1S/C21H18ClFN4S/c1-13-16(11-15-7-4-3-5-8-15)14(2)27-20(24-13)25-21(26-27)28-12-17-18(22)9-6-10-19(17)23/h3-10H,11-12H2,1-2H3

InChI Key

PRSIDZLEGJBZPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.398

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-6.00

Polar Surface Area

29.555

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

K784-7490 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K784-7490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7490?
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What is the minimum amount of K784-7490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7490
  • 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 K784-7490 available by request