7541-0094 Screening compound: methyl 5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate

7541-0094 Screening compound: methyl 5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate
7541-0094 Screening compound: methyl 5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7541-0094
methyl 5-(4-chlorophenyl)-1,2,4-oxadiazole-3-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

7541-0094

Molecular Formula

C10H7ClN2O3 (C10 H7 ClN2 O3)

Compound Name

methyl 5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate

IUPAC name

methyl 5-(4-chlorophenyl)-124-oxadiazole-3-carboxylate

SMILES

COC(c1noc(-c(cc2)ccc2Cl)n1)=O

InChI

InChI=1S/C10H7ClN2O3/c1-15-10(14)8-12-9(16-13-8)6-2-4-7(11)5-3-6/h2-5H,1H3

InChI Key

YCPQNCSCSPMTOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05846870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.754

Distribution Coefficient, logD

2.754

Water Solubility, LogSw

-3.45

Polar Surface Area

53.090

Acid Dissociation Constant (pKa)

34.59

Base Dissociation Constant (pKb)

-9.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

7541-0094 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7541-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7541-0094?
Check Price and Availability of 7541-0094, 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 7541-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7541-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7541-0094
  • 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 7541-0094 available by request