D677-0089 Screening compound: N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

D677-0089 Screening compound: N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
D677-0089 Screening compound: N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D677-0089
N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

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

D677-0089

Molecular Formula

C15H10F3N3O2S (C15 H10 F3 N3 O2 S)

Compound Name

N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

IUPAC name

N-{[5-(thiophen-2-yl)-124-oxadiazol-3-yl]methyl}-2-(trifluoromethyl)benzamide

SMILES

O=C(c1c(C(F)(F)F)cccc1)NCc1noc(-c2cccs2)n1

InChI

InChI=1S/C15H10F3N3O2S/c16-15(17,18)10-5-2-1-4-9(10)13(22)19-8-12-20-14(23-21-12)11-6-3-7-24-11/h1-7H,8H2,(H,19,22)

InChI Key

YHIFNILEYGYKSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

3.423

Water Solubility, LogSw

-3.92

Polar Surface Area

58.338

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

D677-0089 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D677-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D677-0089?
Check Price and Availability of D677-0089, 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 D677-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D677-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D677-0089
  • 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 D677-0089 available by request