D347-0598 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

D347-0598 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
D347-0598 Screening compound: 2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0598
2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

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

D347-0598

Molecular Formula

C22H24ClN3O2S (C22 H24 ClN3 O2 S)

Compound Name

2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-(2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

SMILES

O=C(Cn1c(SCCOc(cc2)ccc2Cl)nc2c1cccc2)N1CCCCC1

InChI

InChI=1S/C22H24ClN3O2S/c23-17-8-10-18(11-9-17)28-14-15-29-22-24-19-6-2-3-7-20(19)26(22)16-21(27)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-16H2

InChI Key

DTASWRKPTLMEOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09759615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.804

Distribution Coefficient, logD

4.798

Water Solubility, LogSw

-4.94

Polar Surface Area

34.288

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D347-0598 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D347-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0598?
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What is the minimum amount of D347-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0598
  • 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 D347-0598 available by request