C121-0132 Screening compound: N-cyclohexyl-2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide

C121-0132 Screening compound: N-cyclohexyl-2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
C121-0132 Screening compound: N-cyclohexyl-2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C121-0132
N-cyclohexyl-2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)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

C121-0132

Molecular Formula

C23H29N5OS (C23 H29 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(Cc(c(C)nc2n3)c(C)n2nc3SCC(NC2CCCCC2)=O)c1

InChI

InChI=1S/C23H29N5OS/c1-15-8-7-9-18(12-15)13-20-16(2)24-22-26-23(27-28(22)17(20)3)30-14-21(29)25-19-10-5-4-6-11-19/h7-9,12,19H,4-6,10-11,13-14H2,1-3H3,(H,25,29)

InChI Key

ITCLHLLNPWCTEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

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

4.635

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.50

Polar Surface Area

53.752

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

C121-0132 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C121-0132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C121-0132?
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What is the minimum amount of C121-0132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C121-0132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C121-0132
  • 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 C121-0132 available by request