V002-3051 Screening compound: 4-chloro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzene-1-sulfonamide

V002-3051 Screening compound: 4-chloro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzene-1-sulfonamide
V002-3051 Screening compound: 4-chloro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-3051
4-chloro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzene-1-sulfonamide

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

V002-3051

Molecular Formula

C27H31ClN2O6S2 (C27 H31 ClN2 O6 S2)

Compound Name

4-chloro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-(2-{4-[(3-methoxyphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-(3-methoxypropyl)benzene-1-sulfonamide

SMILES

COCCCN(CC(N(CC1)C(COc2cc(OC)ccc2)c2c1scc2)=O)S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C27H31ClN2O6S2/c1-34-15-4-13-29(38(32,33)23-9-7-20(28)8-10-23)18-27(31)30-14-11-26-24(12-16-37-26)25(30)19-36-22-6-3-5-21(17-22)35-2/h3,5-10,12,16-17,25H,4,11,13-15,18-19H2,1-2H3/t25-/m0/s1

InChI Key

GMTZNUUKMVPGEL-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19867860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.14

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-5.11

Polar Surface Area

71.315

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

V002-3051 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 V002-3051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3051?
Check Price and Availability of V002-3051, 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 V002-3051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3051
  • 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 V002-3051 available by request