D043-0307 Screening compound: methyl 2-[2-(4-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

D043-0307 Screening compound: methyl 2-[2-(4-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
D043-0307 Screening compound: methyl 2-[2-(4-chlorophenyl)-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0307
methyl 2-[2-(4-chlorophenyl)-5-methyl-7-oxo-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

D043-0307

Molecular Formula

C15H13ClN4O3 (C15 H13 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(-c(cc2)ccc2Cl)nn11)=C(CC(OC)=O)C1=O

InChI

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

InChI Key

BYPKZGVJHQJDFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06599581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.519

Water Solubility, LogSw

-3.48

Polar Surface Area

70.830

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D043-0307 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D043-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0307?
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What is the minimum amount of D043-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0307
  • 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 D043-0307 available by request