P032-0048 Screening compound: methyl 2-(2-{7-methyl-3-oxo-5-phenyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamido)benzoate

P032-0048 Screening compound: methyl 2-(2-{7-methyl-3-oxo-5-phenyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamido)benzoate
P032-0048 Screening compound: methyl 2-(2-{7-methyl-3-oxo-5-phenyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-0048
methyl 2-(2-{7-methyl-3-oxo-5-phenyl-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

P032-0048

Molecular Formula

C22H19N5O4 (C22 H19 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(N=C(c1ccccc1)N12)=CC2=NN(CC(Nc(cccc2)c2C(OC)=O)=O)C1=O

InChI

InChI=1S/C22H19N5O4/c1-14-12-18-25-26(22(30)27(18)20(23-14)15-8-4-3-5-9-15)13-19(28)24-17-11-7-6-10-16(17)21(29)31-2/h3-12H,13H2,1-2H3,(H,24,28)

InChI Key

DXLNXXBZDDAJHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.42

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

2.675

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.37

Polar Surface Area

85.349

Acid Dissociation Constant (pKa)

9.43

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with P032-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-0048?
Check Price and Availability of P032-0048, 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 P032-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-0048
  • 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 P032-0048 available by request