C908-0422 Screening compound: N-[(5,7-dimethyl-6-{2-[(3-methylphenyl)carbamoyl]ethyl}-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluorobenzamide

C908-0422 Screening compound: N-[(5,7-dimethyl-6-{2-[(3-methylphenyl)carbamoyl]ethyl}-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluorobenzamide
C908-0422 Screening compound: N-[(5,7-dimethyl-6-{2-[(3-methylphenyl)carbamoyl]ethyl}-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0422
N-[(5,7-dimethyl-6-{2-[(3-methylphenyl)carbamoyl]ethyl}-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluorobenzamide

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

C908-0422

Molecular Formula

C25H25FN6O2 (C25 H25 FN6 O2)

Compound Name

N-[(5,7-dimethyl-6-{2-[(3-methylphenyl)carbamoyl]ethyl}-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3-fluorobenzamide

IUPAC name

N-[(57-dimethyl-6-{2-[(3-methylphenyl)carbamoyl]ethyl}-[124]triazolo[15-a]pyrimidin-2-yl)methyl]-3-fluorobenzamide

SMILES

Cc1cccc(NC(CCc2c(C)n3nc(CNC(c4cccc(F)c4)=O)nc3nc2C)=O)c1

InChI

InChI=1S/C25H25FN6O2/c1-15-6-4-9-20(12-15)29-23(33)11-10-21-16(2)28-25-30-22(31-32(25)17(21)3)14-27-24(34)18-7-5-8-19(26)13-18/h4-9,12-13H,10-11,14H2,1-3H3,(H,27,34)(H,29,33)

InChI Key

FHEKEAZEAHFQDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.35

Polar Surface Area

79.658

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C908-0422 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Lipid Metabolism Library (9174 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C908-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0422?
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What is the minimum amount of C908-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0422
  • 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 C908-0422 available by request