C328-0398 Screening compound: ethyl 4-{2-[(5-{[(furan-2-yl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate

C328-0398 Screening compound: ethyl 4-{2-[(5-{[(furan-2-yl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
C328-0398 Screening compound: ethyl 4-{2-[(5-{[(furan-2-yl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0398
ethyl 4-{2-[(5-{[(furan-2-yl)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

C328-0398

Molecular Formula

C19H18N4O6S (C19 H18 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSc1nnc(CNC(c2ccco2)=O)o1)=O)=O

InChI

InChI=1S/C19H18N4O6S/c1-2-27-18(26)12-5-7-13(8-6-12)21-15(24)11-30-19-23-22-16(29-19)10-20-17(25)14-4-3-9-28-14/h3-9H,2,10-11H2,1H3,(H,20,25)(H,21,24)

InChI Key

YOXURHJLLLRXLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.44

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

1.903

Water Solubility, LogSw

-2.41

Polar Surface Area

106.896

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C328-0398 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C328-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0398?
Check Price and Availability of C328-0398, 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 C328-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0398
  • 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 C328-0398 available by request