D718-0298 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D718-0298 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D718-0298 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0298
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-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

D718-0298

Molecular Formula

C19H15ClN4O2S (C19 H15 ClN4 O2 S)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

COc(cc1)ccc1C(Nc1nc(SCc(cccc2)c2Cl)nn11)=CC1=O

InChI

InChI=1S/C19H15ClN4O2S/c1-26-14-8-6-12(7-9-14)16-10-17(25)24-18(21-16)22-19(23-24)27-11-13-4-2-3-5-15(13)20/h2-10H,11H2,1H3,(H,21,22,23)

InChI Key

WCNKKUIANAVRAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08131515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-4.56

Polar Surface Area

57.229

Acid Dissociation Constant (pKa)

6.56

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D718-0298 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D718-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0298?
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What is the minimum amount of D718-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0298
  • 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 D718-0298 available by request