D475-1398 Screening compound: methyl 2-[2-(2-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetate

D475-1398 Screening compound: methyl 2-[2-(2-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetate
D475-1398 Screening compound: methyl 2-[2-(2-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-1398
methyl 2-[2-(2-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]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

D475-1398

Molecular Formula

C15H13ClN4O3 (C15 H13 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N(CC(OC)=O)c1nc(-c(cccc2)c2Cl)nn11)=CC1=O

InChI

InChI=1S/C15H13ClN4O3/c1-9-7-12(21)20-15(19(9)8-13(22)23-2)17-14(18-20)10-5-3-4-6-11(10)16/h3-7H,8H2,1-2H3

InChI Key

UEHFHXSNQGDKBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27588524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.082

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-3.17

Polar Surface Area

59.196

Acid Dissociation Constant (pKa)

18.58

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D475-1398 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D475-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-1398?
Check Price and Availability of D475-1398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D475-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-1398
  • 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 D475-1398 available by request