V017-0315 Screening compound: 2-(3,4-dimethoxyphenyl)-4-[(naphthalen-1-ylsulfanyl)methyl]-1,3-thiazole

V017-0315 Screening compound: 2-(3,4-dimethoxyphenyl)-4-[(naphthalen-1-ylsulfanyl)methyl]-1,3-thiazole
V017-0315 Screening compound: 2-(3,4-dimethoxyphenyl)-4-[(naphthalen-1-ylsulfanyl)methyl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0315
2-(3,4-dimethoxyphenyl)-4-[(naphthalen-1-ylsulfanyl)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

V017-0315

Molecular Formula

C22H19NO2S2 (C22 H19 NO2 S2)

Compound Name

2-(3,4-dimethoxyphenyl)-4-[(naphthalen-1-ylsulfanyl)methyl]-1,3-thiazole

IUPAC name

2-(34-dimethoxyphenyl)-4-[(naphthalen-1-ylsulfanyl)methyl]-13-thiazole

SMILES

COc(ccc(-c1nc(CSc2cccc3ccccc23)cs1)c1)c1OC

InChI

InChI=1S/C22H19NO2S2/c1-24-19-11-10-16(12-20(19)25-2)22-23-17(14-27-22)13-26-21-9-5-7-15-6-3-4-8-18(15)21/h3-12,14H,13H2,1-2H3

InChI Key

YQJBGPYNUGJEIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.842

Distribution Coefficient, logD

5.842

Water Solubility, LogSw

-6.88

Polar Surface Area

25.185

Acid Dissociation Constant (pKa)

31.44

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

V017-0315 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 V017-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0315?
Check Price and Availability of V017-0315, 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 V017-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0315
  • 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 V017-0315 available by request