C121-0348 Screening compound: 2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide

C121-0348 Screening compound: 2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
C121-0348 Screening compound: 2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C121-0348
2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide

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

C121-0348

Molecular Formula

C24H24ClN5OS (C24 H24 ClN5 OS)

Compound Name

2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide

IUPAC name

2-({6-[(3-chlorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-(34-dimethylphenyl)acetamide

SMILES

Cc(cc1)c(C)cc1NC(CSc1nn2c(C)c(Cc3cccc(Cl)c3)c(C)nc2n1)=O

InChI

InChI=1S/C24H24ClN5OS/c1-14-8-9-20(10-15(14)2)27-22(31)13-32-24-28-23-26-16(3)21(17(4)30(23)29-24)12-18-6-5-7-19(25)11-18/h5-11H,12-13H2,1-4H3,(H,27,31)

InChI Key

FDOBQCJRHJADSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.736

Distribution Coefficient, logD

5.736

Water Solubility, LogSw

-5.84

Polar Surface Area

52.704

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C121-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C121-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C121-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C121-0348
  • 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 C121-0348 available by request