6049-0245 Screening compound: 5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol

6049-0245 Screening compound: 5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
6049-0245 Screening compound: 5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0245
5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-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

6049-0245

Molecular Formula

C11H17N5S (C11 H17 N5 S)

Compound Name

5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(15-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-124-triazole-3-thiol

SMILES

CC(C)Cn1c(S)nnc1-c1nn(C)c(C)c1

InChI

InChI=1S/C11H17N5S/c1-7(2)6-16-10(12-13-11(16)17)9-5-8(3)15(4)14-9/h5,7H,6H2,1-4H3,(H,13,17)

InChI Key

OXAKUKBLNJLTQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03074678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.600

Distribution Coefficient, logD

1.506

Water Solubility, LogSw

-1.07

Polar Surface Area

37.473

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

6049-0245 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 6049-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0245?
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What is the minimum amount of 6049-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0245
  • 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 6049-0245 available by request