C561-1837 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-hexylpropanamide

C561-1837 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-hexylpropanamide
C561-1837 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-hexylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1837
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-hexylpropanamide

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

C561-1837

Molecular Formula

C24H33N5O3 (C24 H33 N5 O3)

Compound Name

3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-hexylpropanamide

IUPAC name

3-[2-(35-dimethoxyphenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-N-hexylpropanamide

SMILES

CCCCCCNC(CCc1c(C)n2nc(-c3cc(OC)cc(OC)c3)nc2nc1C)=O

InChI

InChI=1S/C24H33N5O3/c1-6-7-8-9-12-25-22(30)11-10-21-16(2)26-24-27-23(28-29(24)17(21)3)18-13-19(31-4)15-20(14-18)32-5/h13-15H,6-12H2,1-5H3,(H,25,30)

InChI Key

ZZQNZWFKLMXHNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.002

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-3.99

Polar Surface Area

70.505

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C561-1837 in Drug Discovery

Included in Screening Libraries

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 C561-1837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1837?
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What is the minimum amount of C561-1837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1837
  • 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 C561-1837 available by request