V008-8422 Screening compound: N-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

V008-8422 Screening compound: N-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide
V008-8422 Screening compound: N-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-8422
N-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-4-methoxy-N-[2-(morpholin-4-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

V008-8422

Molecular Formula

C31H42N4O6S2 (C31 H42 N4 O6 S2)

Compound Name

N-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

IUPAC name

N-({1-cyclohexyl-2-[(3-methylphenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

SMILES

Cc1cccc(CS(c2ncc(CN(CCN3CCOCC3)S(c(cc3)ccc3OC)(=O)=O)n2C2CCCCC2)(=O)=O)c1

InChI

InChI=1S/C31H42N4O6S2/c1-25-7-6-8-26(21-25)24-42(36,37)31-32-22-28(35(31)27-9-4-3-5-10-27)23-34(16-15-33-17-19-41-20-18-33)43(38,39)30-13-11-29(40-2)12-14-30/h6-8,11-14,21-22,27H,3-5,9-10,15-20,23-24H2,1-2H3

InChI Key

LCCIYCUXDYEQGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19819266

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

630.83

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-4.09

Polar Surface Area

91.745

Acid Dissociation Constant (pKa)

20.02

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.60

V008-8422 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 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 V008-8422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-8422?
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What is the minimum amount of V008-8422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-8422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-8422
  • 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 V008-8422 available by request