C794-1069 Screening compound: 5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

C794-1069 Screening compound: 5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
C794-1069 Screening compound: 5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1069
5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

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

C794-1069

Molecular Formula

C16H14N4OS (C16 H14 N4 OS)

Compound Name

5-{4-methyl-4H-furo[3,2-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-{4-methyl-4H-furo[32-b]pyrrol-5-yl}-4-(2-methylphenyl)-4H-124-triazole-3-thiol

SMILES

Cc(cccc1)c1-n1c(S)nnc1-c1cc(occ2)c2n1C

InChI

InChI=1S/C16H14N4OS/c1-10-5-3-4-6-11(10)20-15(17-18-16(20)22)13-9-14-12(19(13)2)7-8-21-14/h3-9H,1-2H3,(H,18,22)

InChI Key

CNGTZVPZSKTHRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

1.041

Water Solubility, LogSw

-3.13

Polar Surface Area

33.164

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C794-1069 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 C794-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C794-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1069
  • 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 C794-1069 available by request