C328-0018 Screening compound: ethyl 4-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate

C328-0018 Screening compound: ethyl 4-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate
C328-0018 Screening compound: ethyl 4-{2-[(5-{[(4-methoxyphenyl)formamido]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0018
ethyl 4-{2-[(5-{[(4-methoxyphenyl)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

C328-0018

Molecular Formula

C22H22N4O6S (C22 H22 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CSc1nnc(CNC(c(cc2)ccc2OC)=O)o1)=O)=O

InChI

InChI=1S/C22H22N4O6S/c1-3-31-21(29)15-4-8-16(9-5-15)24-18(27)13-33-22-26-25-19(32-22)12-23-20(28)14-6-10-17(30-2)11-7-14/h4-11H,3,12-13H2,1-2H3,(H,23,28)(H,24,27)

InChI Key

ORBTURFIONHYJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.24

Polar Surface Area

105.861

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C328-0018 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

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 C328-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0018?
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What is the minimum amount of C328-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0018
  • 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 C328-0018 available by request