D347-0582 Screening compound: ethyl 2-(2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetate

D347-0582 Screening compound: ethyl 2-(2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetate
D347-0582 Screening compound: ethyl 2-(2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0582
ethyl 2-(2-{[2-(4-ethylphenoxy)ethyl]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

D347-0582

Molecular Formula

C21H24N2O3S (C21 H24 N2 O3 S)

Compound Name

ethyl 2-(2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetate

IUPAC name

ethyl 2-(2-{[2-(4-ethylphenoxy)ethyl]sulfanyl}-1H-13-benzodiazol-1-yl)acetate

SMILES

CCc(cc1)ccc1OCCSc1nc(cccc2)c2n1CC(OCC)=O

InChI

InChI=1S/C21H24N2O3S/c1-3-16-9-11-17(12-10-16)26-13-14-27-21-22-18-7-5-6-8-19(18)23(21)15-20(24)25-4-2/h5-12H,3-4,13-15H2,1-2H3

InChI Key

SOWFZFCQNTXRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09759588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.210

Distribution Coefficient, logD

5.206

Water Solubility, LogSw

-4.96

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

33.30

D347-0582 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D347-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0582?
Check Price and Availability of D347-0582, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D347-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0582
  • 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 D347-0582 available by request