C328-0330 Screening compound: N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)thiophene-2-carboxamide

C328-0330 Screening compound: N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)thiophene-2-carboxamide
C328-0330 Screening compound: N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0330
N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)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

C328-0330

Molecular Formula

C17H13F3N4O3S2 (C17 H13 F3 N4 O3 S2)

Compound Name

N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)thiophene-2-carboxamide

IUPAC name

N-({5-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-134-oxadiazol-2-yl}methyl)thiophene-2-carboxamide

SMILES

O=C(CSc1nnc(CNC(c2cccs2)=O)o1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C17H13F3N4O3S2/c18-17(19,20)10-4-1-2-5-11(10)22-13(25)9-29-16-24-23-14(27-16)8-21-15(26)12-6-3-7-28-12/h1-7H,8-9H2,(H,21,26)(H,22,25)

InChI Key

MGXBBJZGZNYMES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

2.496

Water Solubility, LogSw

-3.06

Polar Surface Area

77.885

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C328-0330 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C328-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0330?
Check Price and Availability of C328-0330, 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 C328-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0330
  • 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 C328-0330 available by request