8019-6008 Screening compound: 3-(5-methyl-1H-pyrazol-3-yl)-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

8019-6008 Screening compound: 3-(5-methyl-1H-pyrazol-3-yl)-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
8019-6008 Screening compound: 3-(5-methyl-1H-pyrazol-3-yl)-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6008
3-(5-methyl-1H-pyrazol-3-yl)-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

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

8019-6008

Molecular Formula

C16H14N6OS (C16 H14 N6 OS)

Compound Name

3-(5-methyl-1H-pyrazol-3-yl)-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole

IUPAC name

3-(5-methyl-1H-pyrazol-3-yl)-5-{[(12-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-124-triazole

SMILES

Cc1cc(-c(n2-c3ccccc3)nnc2SCc2nocc2)n[nH]1

InChI

InChI=1S/C16H14N6OS/c1-11-9-14(18-17-11)15-19-20-16(24-10-12-7-8-23-21-12)22(15)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)

InChI Key

CXJODPWAENMIGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.21

Polar Surface Area

69.917

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8019-6008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6008?
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What is the minimum amount of 8019-6008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6008
  • 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 8019-6008 available by request