V011-3592 Screening compound: N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-carboxamide

V011-3592 Screening compound: N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-carboxamide
V011-3592 Screening compound: N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-3592
N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-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

V011-3592

Molecular Formula

C25H28N2O5S (C25 H28 N2 O5 S)

Compound Name

N-({2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}methyl)-N-(3-methoxypropyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-({2-[(35-dimethylphenoxy)methyl]-13-thiazol-4-yl}methyl)-N-(3-methoxypropyl)-2H-13-benzodioxole-5-carboxamide

SMILES

Cc1cc(OCc2nc(CN(CCCOC)C(c(cc3)cc4c3OCO4)=O)cs2)cc(C)c1

InChI

InChI=1S/C25H28N2O5S/c1-17-9-18(2)11-21(10-17)30-14-24-26-20(15-33-24)13-27(7-4-8-29-3)25(28)19-5-6-22-23(12-19)32-16-31-22/h5-6,9-12,15H,4,7-8,13-14,16H2,1-3H3

InChI Key

KFOIVFYQGVOBSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19863183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.667

Distribution Coefficient, logD

4.667

Water Solubility, LogSw

-4.52

Polar Surface Area

60.109

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V011-3592 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with V011-3592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-3592?
Check Price and Availability of V011-3592, 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 V011-3592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-3592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-3592
  • 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 V011-3592 available by request