V016-1672 Screening compound: 2-[4-(allyloxy)-3-methoxyphenyl]-N~4~-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide

V016-1672 Screening compound: 2-[4-(allyloxy)-3-methoxyphenyl]-N~4~-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide
V016-1672 Screening compound: 2-[4-(allyloxy)-3-methoxyphenyl]-N~4~-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-1672
2-[4-(allyloxy)-3-methoxyphenyl]-N~4~-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide

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

V016-1672

Molecular Formula

C22H20N2O5S (C22 H20 N2 O5 S)

Compound Name

2-[4-(allyloxy)-3-methoxyphenyl]-N~4~-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazole-4-carboxamide

IUPAC name

n/a

SMILES

COc(cc(cc1)-c2nc(C(NCc(cc3)cc4c3OCO4)=O)cs2)c1OCC=C

InChI

InChI=1S/C22H20N2O5S/c1-3-8-27-17-7-5-15(10-19(17)26-2)22-24-16(12-30-22)21(25)23-11-14-4-6-18-20(9-14)29-13-28-18/h3-7,9-10,12H,1,8,11,13H2,2H3,(H,23,25)

InChI Key

JTWFXDZMSXTUPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19925683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.39

Polar Surface Area

66.636

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V016-1672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-1672?
Check Price and Availability of V016-1672, 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 V016-1672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-1672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-1672
  • 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 V016-1672 available by request