D347-0113 Screening compound: 1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one

D347-0113 Screening compound: 1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one
D347-0113 Screening compound: 1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0113
1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-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

D347-0113

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{2-[(2-phenoxyethyl)sulfanyl]-1H-13-benzodiazol-1-yl}ethan-1-one

SMILES

O=C(Cn1c(SCCOc2ccccc2)nc2c1cccc2)N1CCCCCC1

InChI

InChI=1S/C23H27N3O2S/c27-22(25-14-8-1-2-9-15-25)18-26-21-13-7-6-12-20(21)24-23(26)29-17-16-28-19-10-4-3-5-11-19/h3-7,10-13H,1-2,8-9,14-18H2

InChI Key

DOHOIUYMVPWIAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09759574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

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

4.677

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.47

Polar Surface Area

34.619

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D347-0113 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D347-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0113?
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What is the minimum amount of D347-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0113
  • 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 D347-0113 available by request