C301-5291 Screening compound: ethyl 5-(4-bromophenyl)-1,3,4-oxadiazole-2-carboxylate

C301-5291 Screening compound: ethyl 5-(4-bromophenyl)-1,3,4-oxadiazole-2-carboxylate
C301-5291 Screening compound: ethyl 5-(4-bromophenyl)-1,3,4-oxadiazole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5291
ethyl 5-(4-bromophenyl)-1,3,4-oxadiazole-2-carboxylate

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

C301-5291

Molecular Formula

C11H9BrN2O3 (C11 H9 BrN2 O3)

Compound Name

ethyl 5-(4-bromophenyl)-1,3,4-oxadiazole-2-carboxylate

IUPAC name

ethyl 5-(4-bromophenyl)-134-oxadiazole-2-carboxylate

SMILES

CCOC(c1nnc(-c(cc2)ccc2Br)o1)=O

InChI

InChI=1S/C11H9BrN2O3/c1-2-16-11(15)10-14-13-9(17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3

InChI Key

ZOZDFQUVDQQEMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.862

Distribution Coefficient, logD

2.862

Water Solubility, LogSw

-2.92

Polar Surface Area

51.508

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C301-5291 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C301-5291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5291?
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What is the minimum amount of C301-5291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5291
  • 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 C301-5291 available by request