C121-0145 Screening compound: 2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide

C121-0145 Screening compound: 2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
C121-0145 Screening compound: 2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[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 C121-0145
2-({5,7-dimethyl-6-[(3-methylphenyl)methyl]-[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

C121-0145

Molecular Formula

C25H27N5OS (C25 H27 N5 OS)

Compound Name

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

IUPAC name

2-({57-dimethyl-6-[(3-methylphenyl)methyl]-[124]triazolo[15-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CSc2nn3c(C)c(Cc4cc(C)ccc4)c(C)nc3n2)=O)cc1

InChI

InChI=1S/C25H27N5OS/c1-16-8-10-20(11-9-16)14-26-23(31)15-32-25-28-24-27-18(3)22(19(4)30(24)29-25)13-21-7-5-6-17(2)12-21/h5-12H,13-15H2,1-4H3,(H,26,31)

InChI Key

OCIJKXLKXISFEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.59

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

4.844

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-4.72

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

28.00

C121-0145 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C121-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C121-0145?
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What is the minimum amount of C121-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C121-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C121-0145
  • 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 C121-0145 available by request