D043-0120 Screening compound: 6-benzyl-2-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D043-0120 Screening compound: 6-benzyl-2-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D043-0120 Screening compound: 6-benzyl-2-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0120
6-benzyl-2-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

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

D043-0120

Molecular Formula

C19H15ClN4O (C19 H15 ClN4 O)

Compound Name

6-benzyl-2-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

6-benzyl-2-(4-chlorophenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(Nc1nc(-c(cc2)ccc2Cl)nn11)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C19H15ClN4O/c1-12-16(11-13-5-3-2-4-6-13)18(25)24-19(21-12)22-17(23-24)14-7-9-15(20)10-8-14/h2-10H,11H2,1H3,(H,21,22,23)

InChI Key

FSXSOGFLYQZBBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06604782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.72

Polar Surface Area

49.980

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D043-0120 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D043-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0120?
Check Price and Availability of D043-0120, 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 D043-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0120
  • 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 D043-0120 available by request