V021-5850 Screening compound: 3-methyl-N-(4-methylphenyl)-N-{1-[(4-nitrophenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide

V021-5850 Screening compound: 3-methyl-N-(4-methylphenyl)-N-{1-[(4-nitrophenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide
V021-5850 Screening compound: 3-methyl-N-(4-methylphenyl)-N-{1-[(4-nitrophenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5850
3-methyl-N-(4-methylphenyl)-N-{1-[(4-nitrophenyl)methyl]piperidin-4-yl}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

V021-5850

Molecular Formula

C26H29N3O4S (C26 H29 N3 O4 S)

Compound Name

3-methyl-N-(4-methylphenyl)-N-{1-[(4-nitrophenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide

IUPAC name

3-methyl-N-(4-methylphenyl)-N-{1-[(4-nitrophenyl)methyl]piperidin-4-yl}benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1N(C1CCN(Cc(cc2)ccc2[N+]([O-])=O)CC1)S(c1cc(C)ccc1)(=O)=O

InChI

InChI=1S/C26H29N3O4S/c1-20-6-10-23(11-7-20)28(34(32,33)26-5-3-4-21(2)18-26)24-14-16-27(17-15-24)19-22-8-12-25(13-9-22)29(30)31/h3-13,18,24H,14-17,19H2,1-2H3

InChI Key

HPXGHRKKXSNKQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19910228

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.929

Distribution Coefficient, logD

5.615

Water Solubility, LogSw

-5.58

Polar Surface Area

69.105

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

V021-5850 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V021-5850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5850?
Check Price and Availability of V021-5850, 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 V021-5850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5850
  • 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 V021-5850 available by request