D347-0158 Screening compound: propan-2-yl 2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetate

D347-0158 Screening compound: propan-2-yl 2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetate
D347-0158 Screening compound: propan-2-yl 2-(2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1H-1,3-benzodiazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0158
propan-2-yl 2-(2-{[2-(2-methoxyphenoxy)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

D347-0158

Molecular Formula

C21H24N2O4S (C21 H24 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OC(Cn1c(SCCOc(cccc2)c2OC)nc2c1cccc2)=O

InChI

InChI=1S/C21H24N2O4S/c1-15(2)27-20(24)14-23-17-9-5-4-8-16(17)22-21(23)28-13-12-26-19-11-7-6-10-18(19)25-3/h4-11,15H,12-14H2,1-3H3

InChI Key

NWCYDTKGDFMLQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-4.31

Polar Surface Area

45.721

Acid Dissociation Constant (pKa)

18.99

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D347-0158 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 D347-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0158?
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What is the minimum amount of D347-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0158
  • 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 D347-0158 available by request