C328-0290 Screening compound: N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-fluorobenzamide

C328-0290 Screening compound: N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-fluorobenzamide
C328-0290 Screening compound: N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0290
N-{[5-({[(4-butylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-fluorobenzamide

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

C328-0290

Molecular Formula

C22H23FN4O3S (C22 H23 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H23FN4O3S/c1-2-3-6-15-9-11-16(12-10-15)25-19(28)14-31-22-27-26-20(30-22)13-24-21(29)17-7-4-5-8-18(17)23/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,24,29)(H,25,28)

InChI Key

YXDUFHIOTVCGLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.395

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.31

Polar Surface Area

77.564

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C328-0290 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C328-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0290?
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What is the minimum amount of C328-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0290
  • 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 C328-0290 available by request