D481-0077 Screening compound: N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

D481-0077 Screening compound: N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
D481-0077 Screening compound: N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0077
N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[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

D481-0077

Molecular Formula

C23H23ClN6O2 (C23 H23 ClN6 O2)

Compound Name

N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

IUPAC name

N-benzyl-3-(2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl)propanamide

SMILES

CC(Nc1nc(NCc(cc2)ccc2Cl)nn11)=C(CCC(NCc2ccccc2)=O)C1=O

InChI

InChI=1S/C23H23ClN6O2/c1-15-19(11-12-20(31)25-13-16-5-3-2-4-6-16)21(32)30-23(27-15)28-22(29-30)26-14-17-7-9-18(24)10-8-17/h2-10H,11-14H2,1H3,(H,25,31)(H2,26,27,28,29)

InChI Key

ZWMIWXYEPZQXPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919716

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

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.049

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-3.54

Polar Surface Area

86.092

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D481-0077 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 D481-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0077?
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What is the minimum amount of D481-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0077
  • 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 D481-0077 available by request