C328-0427 Screening compound: N-{[5-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-2-carboxamide

C328-0427 Screening compound: N-{[5-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-2-carboxamide
C328-0427 Screening compound: N-{[5-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0427
N-{[5-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-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

C328-0427

Molecular Formula

C17H15ClN4O5S (C17 H15 ClN4 O5 S)

Compound Name

N-{[5-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}furan-2-carboxamide

IUPAC name

N-{[5-({[(5-chloro-2-methoxyphenyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}furan-2-carboxamide

SMILES

COc(ccc(Cl)c1)c1NC(CSc1nnc(CNC(c2ccco2)=O)o1)=O

InChI

InChI=1S/C17H15ClN4O5S/c1-25-12-5-4-10(18)7-11(12)20-14(23)9-28-17-22-21-15(27-17)8-19-16(24)13-3-2-6-26-13/h2-7H,8-9H2,1H3,(H,19,24)(H,20,23)

InChI Key

CUARAULWVFDIFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

1.551

Water Solubility, LogSw

-2.76

Polar Surface Area

93.075

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C328-0427 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C328-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0427?
Check Price and Availability of C328-0427, 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 C328-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0427
  • 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 C328-0427 available by request