D481-0148 Screening compound: methyl 2-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]acetate

D481-0148 Screening compound: methyl 2-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]acetate
D481-0148 Screening compound: methyl 2-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0148
methyl 2-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]acetate

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

D481-0148

Molecular Formula

C20H24N6O4 (C20 H24 N6 O4)

Compound Name

methyl 2-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]acetate

IUPAC name

methyl 2-[3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-6-yl)propanamido]acetate

SMILES

Cc1ccc(CNc(nc2NC(C)=C3CCC(NCC(OC)=O)=O)nn2C3=O)cc1

InChI

InChI=1S/C20H24N6O4/c1-12-4-6-14(7-5-12)10-22-19-24-20-23-13(2)15(18(29)26(20)25-19)8-9-16(27)21-11-17(28)30-3/h4-7H,8-11H2,1-3H3,(H,21,27)(H2,22,23,24,25)

InChI Key

YCHPQKCXSSZGHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13919783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.175

Distribution Coefficient, logD

1.132

Water Solubility, LogSw

-1.94

Polar Surface Area

106.942

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D481-0148 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Integrin Receptors Targeted library (1715 compounds)

Lipid Metabolism Library (9174 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D481-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0148?
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What is the minimum amount of D481-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0148
  • 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 D481-0148 available by request