D400-2604 Screening compound: N-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}thiophene-2-carboxamide

D400-2604 Screening compound: N-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}thiophene-2-carboxamide
D400-2604 Screening compound: N-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-2604
N-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}thiophene-2-carboxamide

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

D400-2604

Molecular Formula

C20H15N3O2S (C20 H15 N3 O2 S)

Compound Name

N-{4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl}thiophene-2-carboxamide

IUPAC name

N-{4-[3-(3-methylphenyl)-124-oxadiazol-5-yl]phenyl}thiophene-2-carboxamide

SMILES

Cc1cccc(-c2noc(-c(cc3)ccc3NC(c3cccs3)=O)n2)c1

InChI

InChI=1S/C20H15N3O2S/c1-13-4-2-5-15(12-13)18-22-20(25-23-18)14-7-9-16(10-8-14)21-19(24)17-6-3-11-26-17/h2-12H,1H3,(H,21,24)

InChI Key

IOXONSVYQBGBFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27583884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.325

Distribution Coefficient, logD

5.325

Water Solubility, LogSw

-5.41

Polar Surface Area

55.754

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D400-2604 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D400-2604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-2604?
Check Price and Availability of D400-2604, 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 D400-2604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-2604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-2604
  • 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 D400-2604 available by request