C328-0449 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

C328-0449 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
C328-0449 Screening compound: N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C328-0449
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

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

C328-0449

Molecular Formula

C20H26N4O5S (C20 H26 N4 O5 S)

Compound Name

N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide

IUPAC name

N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-134-oxadiazol-2-yl)methyl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCc(o1)nnc1SCC(N1CCCCCC1)=O)=O)c1)c1OC

InChI

InChI=1S/C20H26N4O5S/c1-27-15-8-7-14(11-16(15)28-2)19(26)21-12-17-22-23-20(29-17)30-13-18(25)24-9-5-3-4-6-10-24/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,21,26)

InChI Key

IJMJAXQVPDJOLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04464475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.528

Distribution Coefficient, logD

1.528

Water Solubility, LogSw

-2.38

Polar Surface Area

86.399

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C328-0449 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C328-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C328-0449?
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What is the minimum amount of C328-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C328-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C328-0449
  • 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 C328-0449 available by request