C328-0266 Screening compound: ethyl 4-{2-[(5-{[(2-fluorophenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate

C328-0266 Screening compound: ethyl 4-{2-[(5-{[(2-fluorophenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
C328-0266 Screening compound: ethyl 4-{2-[(5-{[(2-fluorophenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0266
ethyl 4-{2-[(5-{[(2-fluorophenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate

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

C328-0266

Molecular Formula

C21H19FN4O5S (C21 H19 FN4 O5 S)

Compound Name

ethyl 4-{2-[(5-{[(2-fluorophenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(5-{[(2-fluorophenyl)formamido]methyl}-134-oxadiazol-2-yl)sulfanyl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSc1nnc(CNC(c(cccc2)c2F)=O)o1)=O)=O

InChI

InChI=1S/C21H19FN4O5S/c1-2-30-20(29)13-7-9-14(10-8-13)24-17(27)12-32-21-26-25-18(31-21)11-23-19(28)15-5-3-4-6-16(15)22/h3-10H,2,11-12H2,1H3,(H,23,28)(H,24,27)

InChI Key

RNUHGLXFONEHBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.028

Distribution Coefficient, logD

3.027

Water Solubility, LogSw

-3.62

Polar Surface Area

98.318

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C328-0266 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C328-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0266?
Check Price and Availability of C328-0266, 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 C328-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0266
  • 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 C328-0266 available by request