D494-0490 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide

D494-0490 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide
D494-0490 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D494-0490
N-(3-chloro-4-methylphenyl)-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide

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

D494-0490

Molecular Formula

C20H18ClN7O (C20 H18 ClN7 O)

Compound Name

N-(3-chloro-4-methylphenyl)-2-{[5-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{[5-methyl-2-(pyridin-3-yl)-[124]triazolo[15-a]pyrimidin-7-yl]amino}acetamide

SMILES

Cc(ccc(NC(CNc1cc(C)nc2nc(-c3cnccc3)nn12)=O)c1)c1Cl

InChI

InChI=1S/C20H18ClN7O/c1-12-5-6-15(9-16(12)21)25-18(29)11-23-17-8-13(2)24-20-26-19(27-28(17)20)14-4-3-7-22-10-14/h3-10,23H,11H2,1-2H3,(H,25,29)

InChI Key

MFYSRACDIOUASU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27589439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.73

Polar Surface Area

73.830

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D494-0490 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D494-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D494-0490?
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What is the minimum amount of D494-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D494-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D494-0490
  • 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 D494-0490 available by request