V011-5083 Screening compound: N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

V011-5083 Screening compound: N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
V011-5083 Screening compound: N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5083
N-(2-{4-[(4-chlorophenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]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

V011-5083

Molecular Formula

C28H31ClN2O6S2 (C28 H31 ClN2 O6 S2)

Compound Name

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

IUPAC name

N-(2-{4-[(4-chlorophenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

SMILES

COc(cc1)ccc1S(N(CC1OCCC1)CC(N(CC1)C(COc(cc2)ccc2Cl)c2c1scc2)=O)(=O)=O

InChI

InChI=1S/C28H31ClN2O6S2/c1-35-21-8-10-24(11-9-21)39(33,34)30(17-23-3-2-15-36-23)18-28(32)31-14-12-27-25(13-16-38-27)26(31)19-37-22-6-4-20(29)5-7-22/h4-11,13,16,23,26H,2-3,12,14-15,17-19H2,1H3

InChI Key

YOYIDUCYIYDCOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19865263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.15

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.873

Distribution Coefficient, logD

4.873

Water Solubility, LogSw

-4.78

Polar Surface Area

71.377

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.30

V011-5083 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 V011-5083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5083?
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What is the minimum amount of V011-5083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5083
  • 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 V011-5083 available by request