D347-0032 Screening compound: ethyl 2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetate

D347-0032 Screening compound: ethyl 2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetate
D347-0032 Screening compound: ethyl 2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0032
ethyl 2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetate

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

D347-0032

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

ethyl 2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetate

IUPAC name

ethyl 2-{2-[(2-phenoxyethyl)sulfanyl]-1H-13-benzodiazol-1-yl}acetate

SMILES

CCOC(Cn1c(SCCOc2ccccc2)nc2c1cccc2)=O

InChI

InChI=1S/C19H20N2O3S/c1-2-23-18(22)14-21-17-11-7-6-10-16(17)20-19(21)25-13-12-24-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3

InChI Key

GHDVODLLQNDIOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09373803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.251

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.07

Polar Surface Area

38.325

Acid Dissociation Constant (pKa)

18.41

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D347-0032 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D347-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0032?
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What is the minimum amount of D347-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0032
  • 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 D347-0032 available by request