C749-0281 Screening compound: methyl 3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}thiophene-2-carboxylate

C749-0281 Screening compound: methyl 3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}thiophene-2-carboxylate
C749-0281 Screening compound: methyl 3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C749-0281
methyl 3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}thiophene-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

C749-0281

Molecular Formula

C15H13N3O4S (C15 H13 N3 O4 S)

Compound Name

methyl 3-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}thiophene-2-carboxylate

IUPAC name

methyl 3-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]amino}thiophene-2-carboxylate

SMILES

COC(c(scc1)c1Nc1nc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C15H13N3O4S/c1-20-10-5-3-9(4-6-10)13-17-15(22-18-13)16-11-7-8-23-12(11)14(19)21-2/h3-8H,1-2H3,(H,16,17,18)

InChI Key

GNGUHKPYEUZTIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-4.08

Polar Surface Area

71.179

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C749-0281 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C749-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C749-0281?
Check Price and Availability of C749-0281, 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 C749-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C749-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C749-0281
  • 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 C749-0281 available by request