P032-2313 Screening compound: methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamido}benzoate

P032-2313 Screening compound: methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamido}benzoate
P032-2313 Screening compound: methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-2313
methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamido}benzoate

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

P032-2313

Molecular Formula

C21H18N6O4 (C21 H18 N6 O4)

Compound Name

methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamido}benzoate

IUPAC name

methyl 2-{2-[5-methyl-3-oxo-7-(pyridin-4-yl)-2H3H-[124]triazolo[43-c]pyrimidin-2-yl]acetamido}benzoate

SMILES

CC(N12)=NC(c3ccncc3)=CC2=NN(CC(Nc(cccc2)c2C(OC)=O)=O)C1=O

InChI

InChI=1S/C21H18N6O4/c1-13-23-17(14-7-9-22-10-8-14)11-18-25-26(21(30)27(13)18)12-19(28)24-16-6-4-3-5-15(16)20(29)31-2/h3-11H,12H2,1-2H3,(H,24,28)

InChI Key

ANRYSXJLWJMKGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.514

Distribution Coefficient, logD

1.492

Water Solubility, LogSw

-2.04

Polar Surface Area

94.043

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with P032-2313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-2313?
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What is the minimum amount of P032-2313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-2313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-2313
  • 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 P032-2313 available by request