D718-1389 Screening compound: 7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

D718-1389 Screening compound: 7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
D718-1389 Screening compound: 7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1389
7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

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

D718-1389

Molecular Formula

C20H18N4O3S (C20 H18 N4 O3 S)

Compound Name

7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

IUPAC name

7-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-4H7H-[124]triazolo[15-a]pyrimidine-5-carboxylic acid

SMILES

CSc1nn(C(C=C(C(O)=O)N2)c(cc3)ccc3OCc3ccccc3)c2n1

InChI

InChI=1S/C20H18N4O3S/c1-28-20-22-19-21-16(18(25)26)11-17(24(19)23-20)14-7-9-15(10-8-14)27-12-13-5-3-2-4-6-13/h2-11,17H,12H2,1H3,(H,25,26)(H,21,22,23)/t17-/m0/s1

InChI Key

MOWWOFLFVYVRKT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD11855744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.648

Distribution Coefficient, logD

0.009

Water Solubility, LogSw

-3.84

Polar Surface Area

72.288

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D718-1389 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

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

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D718-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1389?
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What is the minimum amount of D718-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1389
  • 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 D718-1389 available by request