V031-0991 Screening compound: methyl 2-({[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)benzoate

V031-0991 Screening compound: methyl 2-({[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)benzoate
V031-0991 Screening compound: methyl 2-({[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0991
methyl 2-({[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)benzoate

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

V031-0991

Molecular Formula

C20H19NO4S2 (C20 H19 NO4 S2)

Compound Name

methyl 2-({[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)benzoate

IUPAC name

methyl 2-({[2-(34-dimethoxyphenyl)-13-thiazol-4-yl]methyl}sulfanyl)benzoate

SMILES

COC(c(cccc1)c1SCc1csc(-c(cc2)cc(OC)c2OC)n1)=O

InChI

InChI=1S/C20H19NO4S2/c1-23-16-9-8-13(10-17(16)24-2)19-21-14(12-27-19)11-26-18-7-5-4-6-15(18)20(22)25-3/h4-10,12H,11H2,1-3H3

InChI Key

JWGTZRPSOMZZDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945281

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.51

Polar Surface Area

46.631

Acid Dissociation Constant (pKa)

32.58

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V031-0991 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V031-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0991?
Check Price and Availability of V031-0991, 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 V031-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0991
  • 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 V031-0991 available by request