C121-0349 Screening compound: 2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide

C121-0349 Screening compound: 2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide
C121-0349 Screening compound: 2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C121-0349
2-({6-[(3-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-(3-methoxyphenyl)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

C121-0349

Molecular Formula

C23H22ClN5O2S (C23 H22 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc2cccc(Cl)c2)c(C)nc2nc(SCC(Nc3cc(OC)ccc3)=O)nn12

InChI

InChI=1S/C23H22ClN5O2S/c1-14-20(11-16-6-4-7-17(24)10-16)15(2)29-22(25-14)27-23(28-29)32-13-21(30)26-18-8-5-9-19(12-18)31-3/h4-10,12H,11,13H2,1-3H3,(H,26,30)

InChI Key

ZCNVQNZKQBERMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.815

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.83

Polar Surface Area

60.248

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C121-0349 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C121-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C121-0349?
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What is the minimum amount of C121-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C121-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C121-0349
  • 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 C121-0349 available by request