D347-0085 Screening compound: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(propan-2-yl)-1H-1,3-benzodiazole

D347-0085 Screening compound: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(propan-2-yl)-1H-1,3-benzodiazole
D347-0085 Screening compound: 2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(propan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-0085
2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(propan-2-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

D347-0085

Molecular Formula

C19H22N2OS (C19 H22 N2 OS)

Compound Name

2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(propan-2-yl)-1H-1,3-benzodiazole

IUPAC name

2-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1-(propan-2-yl)-1H-13-benzodiazole

SMILES

CC(C)n1c(SCCOc2c(C)cccc2)nc2c1cccc2

InChI

InChI=1S/C19H22N2OS/c1-14(2)21-17-10-6-5-9-16(17)20-19(21)23-13-12-22-18-11-7-4-8-15(18)3/h4-11,14H,12-13H2,1-3H3

InChI Key

UUMMXYOLDQLDSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09759606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.110

Distribution Coefficient, logD

5.110

Water Solubility, LogSw

-5.06

Polar Surface Area

19.329

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with D347-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-0085?
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What is the minimum amount of D347-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-0085
  • 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 D347-0085 available by request