C561-1590 Screening compound: N-(3-chloro-4-methylphenyl)-3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

C561-1590 Screening compound: N-(3-chloro-4-methylphenyl)-3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
C561-1590 Screening compound: N-(3-chloro-4-methylphenyl)-3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1590
N-(3-chloro-4-methylphenyl)-3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

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

C561-1590

Molecular Formula

C17H18ClN5O (C17 H18 ClN5 O)

Compound Name

N-(3-chloro-4-methylphenyl)-3-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide

IUPAC name

N-(3-chloro-4-methylphenyl)-3-{57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl}propanamide

SMILES

Cc(ccc(NC(CCc1c(C)n2ncnc2nc1C)=O)c1)c1Cl

InChI

InChI=1S/C17H18ClN5O/c1-10-4-5-13(8-15(10)18)22-16(24)7-6-14-11(2)21-17-19-9-20-23(17)12(14)3/h4-5,8-9H,6-7H2,1-3H3,(H,22,24)

InChI Key

JCUYBIWNVHHERM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.36

Polar Surface Area

55.195

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C561-1590 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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 C561-1590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1590?
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What is the minimum amount of C561-1590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1590
  • 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 C561-1590 available by request