D347-0888 Screening compound: 2-(2-{[2-(2,5-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

D347-0888 Screening compound: 2-(2-{[2-(2,5-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
D347-0888 Screening compound: 2-(2-{[2-(2,5-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0888
2-(2-{[2-(2,5-dimethylphenoxy)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

D347-0888

Molecular Formula

C24H29N3O2S (C24 H29 N3 O2 S)

Compound Name

2-(2-{[2-(2,5-dimethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-(2-{[2-(25-dimethylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)-1-(piperidin-1-yl)ethan-1-one

SMILES

Cc1cc(OCCSc2nc(cccc3)c3n2CC(N2CCCCC2)=O)c(C)cc1

InChI

InChI=1S/C24H29N3O2S/c1-18-10-11-19(2)22(16-18)29-14-15-30-24-25-20-8-4-5-9-21(20)27(24)17-23(28)26-12-6-3-7-13-26/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3

InChI Key

XGZFVWITAOKTNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09759621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

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

5.068

Distribution Coefficient, logD

5.062

Water Solubility, LogSw

-4.66

Polar Surface Area

34.374

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with D347-0888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0888?
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What is the minimum amount of D347-0888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0888
  • 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 D347-0888 available by request