8004-8047 Screening compound: 5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thiol

8004-8047 Screening compound: 5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thiol
8004-8047 Screening compound: 5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-8047
5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-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

8004-8047

Molecular Formula

C12H14N2OS (C12 H14 N2 OS)

Compound Name

5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thiol

IUPAC name

5-(4-tert-butylphenyl)-134-oxadiazole-2-thiol

SMILES

CC(C)(C)c(cc1)ccc1-c(o1)nnc1S

InChI

InChI=1S/C12H14N2OS/c1-12(2,3)9-6-4-8(5-7-9)10-13-14-11(16)15-10/h4-7H,1-3H3,(H,14,16)

InChI Key

ATIYHEZPBLMRNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00500939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

0.114

Water Solubility, LogSw

-3.38

Polar Surface Area

29.630

Acid Dissociation Constant (pKa)

3.95

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8004-8047 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

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 8004-8047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-8047?
Check Price and Availability of 8004-8047, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8004-8047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-8047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-8047
  • 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 8004-8047 available by request