C561-1785 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide

C561-1785 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide
C561-1785 Screening compound: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1785
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]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

C561-1785

Molecular Formula

C26H29N5O3 (C26 H29 N5 O3)

Compound Name

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

IUPAC name

3-[2-(35-dimethoxyphenyl)-57-dimethyl-[124]triazolo[15-a]pyrimidin-6-yl]-N-[(4-methylphenyl)methyl]propanamide

SMILES

Cc1ccc(CNC(CCc2c(C)n3nc(-c4cc(OC)cc(OC)c4)nc3nc2C)=O)cc1

InChI

InChI=1S/C26H29N5O3/c1-16-6-8-19(9-7-16)15-27-24(32)11-10-23-17(2)28-26-29-25(30-31(26)18(23)3)20-12-21(33-4)14-22(13-20)34-5/h6-9,12-14H,10-11,15H2,1-5H3,(H,27,32)

InChI Key

RZSMFBJLPHRZPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14771141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.847

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.12

Polar Surface Area

70.392

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C561-1785 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C561-1785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1785?
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What is the minimum amount of C561-1785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1785
  • 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 C561-1785 available by request