7012-0798 Screening compound: 5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole

7012-0798 Screening compound: 5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole
7012-0798 Screening compound: 5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7012-0798
5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-phenyl-1,2,4-oxadiazole

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

7012-0798

Molecular Formula

C16H13N5O2S (C16 H13 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccco1

InChI

InChI=1S/C16H13N5O2S/c1-21-15(12-8-5-9-22-12)18-19-16(21)24-10-13-17-14(20-23-13)11-6-3-2-4-7-11/h2-9H,10H2,1H3

InChI Key

XOIMXKCVCWBPCO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.208

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.21

Polar Surface Area

64.972

Acid Dissociation Constant (pKa)

22.73

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 7012-0798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7012-0798?
Check Price and Availability of 7012-0798, 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 7012-0798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7012-0798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7012-0798
  • 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 7012-0798 available by request