C179-0775 Screening compound: N-benzyl-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methylacetamide

C179-0775 Screening compound: N-benzyl-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methylacetamide
C179-0775 Screening compound: N-benzyl-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C179-0775
N-benzyl-2-({6-[(2-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-methylacetamide

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

C179-0775

Molecular Formula

C24H24ClN5OS (C24 H24 ClN5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc(cccc2)c2Cl)c(C)nc2nc(SCC(N(C)Cc3ccccc3)=O)nn12

InChI

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

InChI Key

DJHLMEADDRHTSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14724108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.953

Water Solubility, LogSw

-4.92

Polar Surface Area

45.450

Acid Dissociation Constant (pKa)

16.20

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C179-0775 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C179-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C179-0775?
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What is the minimum amount of C179-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C179-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C179-0775
  • 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 C179-0775 available by request