D718-1372 Screening compound: 2-methyl-7-[4-(methylsulfanyl)phenyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

D718-1372 Screening compound: 2-methyl-7-[4-(methylsulfanyl)phenyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
D718-1372 Screening compound: 2-methyl-7-[4-(methylsulfanyl)phenyl]-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1372
2-methyl-7-[4-(methylsulfanyl)phenyl]-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

D718-1372

Molecular Formula

C14H14N4O2S (C14 H14 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nn(C(C=C(C(O)=O)N2)c(cc3)ccc3SC)c2n1

InChI

InChI=1S/C14H14N4O2S/c1-8-15-14-16-11(13(19)20)7-12(18(14)17-8)9-3-5-10(21-2)6-4-9/h3-7,12H,1-2H3,(H,19,20)(H,15,16,17)/t12-/m0/s1

InChI Key

XUUJTJGNQWBTEJ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD11082386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

-1.492

Water Solubility, LogSw

-2.83

Polar Surface Area

65.952

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D718-1372 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 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 D718-1372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1372?
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What is the minimum amount of D718-1372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1372
  • 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 D718-1372 available by request