V010-9822 Screening compound: N-[1-(2-chloroacetyl)piperidin-4-yl]-2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamide

V010-9822 Screening compound: N-[1-(2-chloroacetyl)piperidin-4-yl]-2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamide
V010-9822 Screening compound: N-[1-(2-chloroacetyl)piperidin-4-yl]-2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9822
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamide

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

V010-9822

Molecular Formula

C25H40ClN3O4S (C25 H40 ClN3 O4 S)

Compound Name

N-[1-(2-chloroacetyl)piperidin-4-yl]-2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamide

IUPAC name

N-[1-(2-chloroacetyl)piperidin-4-yl]-2-[N-(3-methylbutyl)propane-1-sulfonamido]-N-[(2-methylphenyl)methyl]acetamide

SMILES

CCCS(N(CCC(C)C)CC(N(Cc1c(C)cccc1)C(CC1)CCN1C(CCl)=O)=O)(=O)=O

InChI

InChI=1S/C25H40ClN3O4S/c1-5-16-34(32,33)28(15-10-20(2)3)19-25(31)29(18-22-9-7-6-8-21(22)4)23-11-13-27(14-12-23)24(30)17-26/h6-9,20,23H,5,10-19H2,1-4H3

InChI Key

LCUAOKBVVVEFDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19970251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.13

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.119

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-3.82

Polar Surface Area

62.887

Acid Dissociation Constant (pKa)

21.96

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.00

V010-9822 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V010-9822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9822?
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What is the minimum amount of V010-9822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9822
  • 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 V010-9822 available by request