8008-9698 Screening compound: 2-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-furoic acid

8008-9698 Screening compound: 2-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-furoic acid
8008-9698 Screening compound: 2-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-furoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9698
2-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-furoic 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

8008-9698

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

2-methyl-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-furoic acid

IUPAC name

2-methyl-5-{[(4-methyl-5-phenyl-4H-124-triazol-3-yl)sulfanyl]methyl}furan-3-carboxylic acid

SMILES

Cc(oc(CSc1nnc(-c2ccccc2)n1C)c1)c1C(O)=O

InChI

InChI=1S/C16H15N3O3S/c1-10-13(15(20)21)8-12(22-10)9-23-16-18-17-14(19(16)2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,20,21)

InChI Key

DCZQLWZLLDUCSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01441044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

1.048

Water Solubility, LogSw

-3.37

Polar Surface Area

60.955

Acid Dissociation Constant (pKa)

5.25

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8008-9698 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8008-9698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9698?
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What is the minimum amount of 8008-9698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9698
  • 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 8008-9698 available by request