D043-0316 Screening compound: methyl 2-[5-methyl-7-oxo-2-(phenoxymethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

D043-0316 Screening compound: methyl 2-[5-methyl-7-oxo-2-(phenoxymethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
D043-0316 Screening compound: methyl 2-[5-methyl-7-oxo-2-(phenoxymethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0316
methyl 2-[5-methyl-7-oxo-2-(phenoxymethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-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

D043-0316

Molecular Formula

C16H16N4O4 (C16 H16 N4 O4)

Compound Name

methyl 2-[5-methyl-7-oxo-2-(phenoxymethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

IUPAC name

methyl 2-[5-methyl-7-oxo-2-(phenoxymethyl)-4H7H-[124]triazolo[15-a]pyrimidin-6-yl]acetate

SMILES

CC(Nc1nc(COc2ccccc2)nn11)=C(CC(OC)=O)C1=O

InChI

InChI=1S/C16H16N4O4/c1-10-12(8-14(21)23-2)15(22)20-16(17-10)18-13(19-20)9-24-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,17,18,19)

InChI Key

OTBWEKVQYAHHAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06602842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.389

Distribution Coefficient, logD

0.059

Water Solubility, LogSw

-1.80

Polar Surface Area

79.320

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

-2.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D043-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0316?
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What is the minimum amount of D043-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0316
  • 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 D043-0316 available by request