D475-1334 Screening compound: methyl 2-{2-[2-(4-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamido}acetate

D475-1334 Screening compound: methyl 2-{2-[2-(4-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamido}acetate
D475-1334 Screening compound: methyl 2-{2-[2-(4-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-1334
methyl 2-{2-[2-(4-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamido}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

D475-1334

Molecular Formula

C17H16ClN5O4 (C17 H16 ClN5 O4)

Compound Name

methyl 2-{2-[2-(4-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetamido}acetate

IUPAC name

methyl 2-{2-[2-(4-chlorophenyl)-5-methyl-7-oxo-4H7H-[124]triazolo[15-a]pyrimidin-4-yl]acetamido}acetate

SMILES

CC(N(CC(NCC(OC)=O)=O)c1nc(-c(cc2)ccc2Cl)nn11)=CC1=O

InChI

InChI=1S/C17H16ClN5O4/c1-10-7-14(25)23-17(22(10)9-13(24)19-8-15(26)27-2)20-16(21-23)11-3-5-12(18)6-4-11/h3-7H,8-9H2,1-2H3,(H,19,24)

InChI Key

WOWOAGQOEIMFFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.8

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.89

Polar Surface Area

83.667

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D475-1334 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D475-1334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-1334?
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What is the minimum amount of D475-1334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-1334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-1334
  • 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 D475-1334 available by request