V011-5049 Screening compound: 4-methyl-N-(2-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]benzene-1-sulfonamide

V011-5049 Screening compound: 4-methyl-N-(2-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]benzene-1-sulfonamide
V011-5049 Screening compound: 4-methyl-N-(2-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-5049
4-methyl-N-(2-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]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

V011-5049

Molecular Formula

C31H40N2O4S2 (C31 H40 N2 O4 S2)

Compound Name

4-methyl-N-(2-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]benzene-1-sulfonamide

IUPAC name

4-methyl-N-(2-methylbutyl)-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H5H6H7H-thieno[32-c]pyridin-5-yl)ethyl]benzene-1-sulfonamide

SMILES

CCC(C)CN(CC(N(CC1)C(COc2ccc(C(C)C)cc2)c2c1scc2)=O)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C31H40N2O4S2/c1-6-23(4)19-32(39(35,36)27-13-7-24(5)8-14-27)20-31(34)33-17-15-30-28(16-18-38-30)29(33)21-37-26-11-9-25(10-12-26)22(2)3/h7-14,16,18,22-23,29H,6,15,17,19-21H2,1-5H3

InChI Key

MOYNXMXMHQDNGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.761

Distribution Coefficient, logD

7.761

Water Solubility, LogSw

-5.71

Polar Surface Area

55.451

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.20

V011-5049 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V011-5049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-5049?
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What is the minimum amount of V011-5049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-5049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-5049
  • 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 V011-5049 available by request