C301-9372 Screening compound: 5-(4-bromophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

C301-9372 Screening compound: 5-(4-bromophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione
C301-9372 Screening compound: 5-(4-bromophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9372
5-(4-bromophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

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

C301-9372

Molecular Formula

C8H5BrN2OS (C8 H5 BrN2 OS)

Compound Name

5-(4-bromophenyl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

IUPAC name

5-(4-bromophenyl)-23-dihydro-134-oxadiazole-2-thione

SMILES

S=C1OC(c(cc2)ccc2Br)=NN1

InChI

InChI=1S/C8H5BrN2OS/c9-6-3-1-5(2-4-6)7-10-11-8(13)12-7/h1-4H,(H,11,13)

InChI Key

IAUFUSRGSRXPQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.11

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.923

Distribution Coefficient, logD

-1.068

Water Solubility, LogSw

-3.41

Polar Surface Area

33.311

Acid Dissociation Constant (pKa)

3.41

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C301-9372 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-9372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9372?
Check Price and Availability of C301-9372, 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 C301-9372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9372
  • 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 C301-9372 available by request