D347-0129 Screening compound: 2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazole

D347-0129 Screening compound: 2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazole
D347-0129 Screening compound: 2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0129
2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazole

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

D347-0129

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazole

IUPAC name

2-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-1-(2-methylprop-2-en-1-yl)-1H-13-benzodiazole

SMILES

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

InChI

InChI=1S/C20H22N2O2S/c1-15(2)14-22-17-9-5-4-8-16(17)21-20(22)25-13-12-24-19-11-7-6-10-18(19)23-3/h4-11H,1,12-14H2,2-3H3

InChI Key

MCNBILUEOSEOHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-4.72

Polar Surface Area

25.884

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D347-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0129?
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What is the minimum amount of D347-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0129
  • 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 D347-0129 available by request