C561-1835 Screening compound: N-(2,2-dimethoxyethyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C561-1835 Screening compound: N-(2,2-dimethoxyethyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
C561-1835 Screening compound: N-(2,2-dimethoxyethyl)-3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1835
N-(2,2-dimethoxyethyl)-3-[2-(3,5-dimethoxyphenyl)-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

C561-1835

Molecular Formula

C22H29N5O5 (C22 H29 N5 O5)

Compound Name

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

IUPAC name

N-(22-dimethoxyethyl)-3-[2-(35-dimethoxyphenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]propanamide

SMILES

Cc1c(CCC(NCC(OC)OC)=O)c(C)nc2nc(-c3cc(OC)cc(OC)c3)nn12

InChI

InChI=1S/C22H29N5O5/c1-13-18(7-8-19(28)23-12-20(31-5)32-6)14(2)27-22(24-13)25-21(26-27)15-9-16(29-3)11-17(10-15)30-4/h9-11,20H,7-8,12H2,1-6H3,(H,23,28)

InChI Key

BLRVMPURPRUJOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

1.246

Water Solubility, LogSw

-1.83

Polar Surface Area

86.158

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

C561-1835 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C561-1835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1835?
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What is the minimum amount of C561-1835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1835
  • 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 C561-1835 available by request