C328-0057 Screening compound: N-{[5-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide

C328-0057 Screening compound: N-{[5-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide
C328-0057 Screening compound: N-{[5-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0057
N-{[5-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide

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

C328-0057

Molecular Formula

C21H22N4O5S (C21 H22 N4 O5 S)

Compound Name

N-{[5-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-4-methoxybenzamide

IUPAC name

N-{[5-({[(2-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-134-oxadiazol-2-yl]methyl}-4-methoxybenzamide

SMILES

CCOc(cccc1)c1NC(CSc1nnc(CNC(c(cc2)ccc2OC)=O)o1)=O

InChI

InChI=1S/C21H22N4O5S/c1-3-29-17-7-5-4-6-16(17)23-18(26)13-31-21-25-24-19(30-21)12-22-20(27)14-8-10-15(28-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,22,27)(H,23,26)

InChI Key

LJVLJZZZERPKSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.302

Distribution Coefficient, logD

2.302

Water Solubility, LogSw

-2.71

Polar Surface Area

91.620

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C328-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0057?
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What is the minimum amount of C328-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0057
  • 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 C328-0057 available by request