6948-4694 Screening compound: 3-(4-bromophenyl)-5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

6948-4694 Screening compound: 3-(4-bromophenyl)-5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
6948-4694 Screening compound: 3-(4-bromophenyl)-5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6948-4694
3-(4-bromophenyl)-5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-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

6948-4694

Molecular Formula

C16H12BrN5O2S (C16 H12 BrN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(SCc2nc(-c(cc3)ccc3Br)no2)nnc1-c1ccco1

InChI

InChI=1S/C16H12BrN5O2S/c1-22-15(12-3-2-8-23-12)19-20-16(22)25-9-13-18-14(21-24-13)10-4-6-11(17)7-5-10/h2-8H,9H2,1H3

InChI Key

OZSGGICGVZNQLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04377027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.27

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

4.147

Distribution Coefficient, logD

4.147

Water Solubility, LogSw

-4.24

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

6948-4694 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6948-4694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6948-4694?
Check Price and Availability of 6948-4694, 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 6948-4694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6948-4694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6948-4694
  • 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 6948-4694 available by request