C121-0537 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide

C121-0537 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
C121-0537 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C121-0537
2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]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

C121-0537

Molecular Formula

C24H24ClN5OS (C24 H24 ClN5 OS)

Compound Name

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

IUPAC name

2-({6-[(2-chlorophenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CSc2nn3c(C)c(Cc(cccc4)c4Cl)c(C)nc3n2)=O)cc1

InChI

InChI=1S/C24H24ClN5OS/c1-15-8-10-18(11-9-15)13-26-22(31)14-32-24-28-23-27-16(2)20(17(3)30(23)29-24)12-19-6-4-5-7-21(19)25/h4-11H,12-14H2,1-3H3,(H,26,31)

InChI Key

PTDJHXWGTOSXOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720763

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

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.78

Polar Surface Area

54.026

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C121-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C121-0537?
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What is the minimum amount of C121-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C121-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C121-0537
  • 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 C121-0537 available by request