C314-0164 Screening compound: N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C314-0164 Screening compound: N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C314-0164 Screening compound: N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C314-0164
N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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

C314-0164

Molecular Formula

C27H27N5OS2 (C27 H27 N5 OS2)

Compound Name

N-(2,4-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

N-(24-dimethylphenyl)-5-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-7-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

Cc1cccc(CSc2nn(C(c3cccs3)C(C(Nc3c(C)cc(C)cc3)=O)=C(C)N3)c3n2)c1

InChI

InChI=1S/C27H27N5OS2/c1-16-7-5-8-20(14-16)15-35-27-30-26-28-19(4)23(24(32(26)31-27)22-9-6-12-34-22)25(33)29-21-11-10-17(2)13-18(21)3/h5-14,24H,15H2,1-4H3,(H,29,33)(H,28,30,31)/t24-/m0/s1

InChI Key

BSYLUBONFZXLBR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14748212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.516

Distribution Coefficient, logD

6.515

Water Solubility, LogSw

-5.51

Polar Surface Area

58.911

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

C314-0164 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Annotated Library (688 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 C314-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C314-0164?
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What is the minimum amount of C314-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C314-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C314-0164
  • 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 C314-0164 available by request