V015-5951 Screening compound: 4-{[(2-ethylphenyl)sulfanyl]methyl}-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole

V015-5951 Screening compound: 4-{[(2-ethylphenyl)sulfanyl]methyl}-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
V015-5951 Screening compound: 4-{[(2-ethylphenyl)sulfanyl]methyl}-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-5951
4-{[(2-ethylphenyl)sulfanyl]methyl}-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole

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

V015-5951

Molecular Formula

C20H21NO2S2 (C20 H21 NO2 S2)

Compound Name

4-{[(2-ethylphenyl)sulfanyl]methyl}-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole

IUPAC name

4-{[(2-ethylphenyl)sulfanyl]methyl}-2-[(4-methoxyphenoxy)methyl]-13-thiazole

SMILES

CCc(cccc1)c1SCc1csc(COc(cc2)ccc2OC)n1

InChI

InChI=1S/C20H21NO2S2/c1-3-15-6-4-5-7-19(15)24-13-16-14-25-20(21-16)12-23-18-10-8-17(22-2)9-11-18/h4-11,14H,3,12-13H2,1-2H3

InChI Key

JXZDIPVYPKZKIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.727

Distribution Coefficient, logD

5.727

Water Solubility, LogSw

-5.57

Polar Surface Area

25.734

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V015-5951 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-5951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-5951?
Check Price and Availability of V015-5951, 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 V015-5951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-5951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-5951
  • 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 V015-5951 available by request