C179-0739 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-cyclopropylacetamide

C179-0739 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-cyclopropylacetamide
C179-0739 Screening compound: 2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-cyclopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0739
2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-cyclopropylacetamide

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

C179-0739

Molecular Formula

C19H20ClN5OS (C19 H20 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc(cccc2)c2Cl)c(C)nc2nc(SCC(NC3CC3)=O)nn12

InChI

InChI=1S/C19H20ClN5OS/c1-11-15(9-13-5-3-4-6-16(13)20)12(2)25-18(21-11)23-19(24-25)27-10-17(26)22-14-7-8-14/h3-6,14H,7-10H2,1-2H3,(H,22,26)

InChI Key

HUDMVCLEWYMBSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.92

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

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.51

Polar Surface Area

54.083

Acid Dissociation Constant (pKa)

13.93

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with C179-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0739?
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What is the minimum amount of C179-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0739
  • 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 C179-0739 available by request