C118-0429 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C118-0429 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
C118-0429 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C118-0429
2-{[(2-fluorophenyl)methyl]sulfanyl}-5-methyl-7-(4-methylphenyl)-N-(pyridin-3-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

C118-0429

Molecular Formula

C26H23FN6OS (C26 H23 FN6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(C(C(Nc2cnccc2)=O)=C(C)Nc2n3)n2nc3SCc(cccc2)c2F)cc1

InChI

InChI=1S/C26H23FN6OS/c1-16-9-11-18(12-10-16)23-22(24(34)30-20-7-5-13-28-14-20)17(2)29-25-31-26(32-33(23)25)35-15-19-6-3-4-8-21(19)27/h3-14,23H,15H2,1-2H3,(H,30,34)(H,29,31,32)/t23-/m0/s1

InChI Key

MXYPCJCWODLMJD-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD04457149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.198

Distribution Coefficient, logD

5.197

Water Solubility, LogSw

-4.74

Polar Surface Area

68.108

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

C118-0429 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C118-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C118-0429?
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What is the minimum amount of C118-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C118-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C118-0429
  • 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 C118-0429 available by request