D481-0041 Screening compound: 3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-chloro-4-methylphenyl)propanamide

D481-0041 Screening compound: 3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-chloro-4-methylphenyl)propanamide
D481-0041 Screening compound: 3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-chloro-4-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0041
3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-chloro-4-methylphenyl)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

D481-0041

Molecular Formula

C23H23ClN6O2 (C23 H23 ClN6 O2)

Compound Name

3-[2-(benzylamino)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-chloro-4-methylphenyl)propanamide

IUPAC name

3-[2-(benzylamino)-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl]-N-(3-chloro-4-methylphenyl)propanamide

SMILES

Cc(ccc(NC(CCC1=C(C)Nc2nc(NCc3ccccc3)nn2C1=O)=O)c1)c1Cl

InChI

InChI=1S/C23H23ClN6O2/c1-14-8-9-17(12-19(14)24)27-20(31)11-10-18-15(2)26-23-28-22(29-30(23)21(18)32)25-13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,27,31)(H2,25,26,28,29)

InChI Key

WOMNNYCHSVOPMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.37

Polar Surface Area

84.770

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D481-0041 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D481-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0041?
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What is the minimum amount of D481-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0041
  • 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 D481-0041 available by request