C121-0098 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C121-0098 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
C121-0098 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C121-0098
2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl]-[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

C121-0098

Molecular Formula

C22H21ClN4S (C22 H21 ClN4 S)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-57-dimethyl-6-[(3-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidine

SMILES

Cc1cccc(Cc(c(C)nc2n3)c(C)n2nc3SCc(cccc2)c2Cl)c1

InChI

InChI=1S/C22H21ClN4S/c1-14-7-6-8-17(11-14)12-19-15(2)24-21-25-22(26-27(21)16(19)3)28-13-18-9-4-5-10-20(18)23/h4-11H,12-13H2,1-3H3

InChI Key

SKJSFSJZYYVSOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.95

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

6.000

Distribution Coefficient, logD

6.000

Water Solubility, LogSw

-6.21

Polar Surface Area

29.555

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C121-0098 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 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 C121-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C121-0098?
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What is the minimum amount of C121-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C121-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C121-0098
  • 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 C121-0098 available by request