D718-0293 Screening compound: methyl 2-({6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate

D718-0293 Screening compound: methyl 2-({6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate
D718-0293 Screening compound: methyl 2-({6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0293
methyl 2-({6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)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

D718-0293

Molecular Formula

C16H15ClN4O3S (C16 H15 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(SCC(OC)=O)nn11)=C(Cc(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C16H15ClN4O3S/c1-9-12(7-10-3-5-11(17)6-4-10)14(23)21-15(18-9)19-16(20-21)25-8-13(22)24-2/h3-6H,7-8H2,1-2H3,(H,18,19,20)

InChI Key

XFBGYBCWKNUHJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08591782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.815

Water Solubility, LogSw

-3.57

Polar Surface Area

69.552

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D718-0293 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D718-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0293?
Check Price and Availability of D718-0293, 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 D718-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0293
  • 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 D718-0293 available by request