V016-1804 Screening compound: 4-methyl-N-(4-methylphenyl)-N-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}benzene-1-sulfonamide

V016-1804 Screening compound: 4-methyl-N-(4-methylphenyl)-N-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}benzene-1-sulfonamide
V016-1804 Screening compound: 4-methyl-N-(4-methylphenyl)-N-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-1804
4-methyl-N-(4-methylphenyl)-N-{1-[(thiophen-2-yl)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

V016-1804

Molecular Formula

C24H28N2O2S2 (C24 H28 N2 O2 S2)

Compound Name

4-methyl-N-(4-methylphenyl)-N-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}benzene-1-sulfonamide

IUPAC name

4-methyl-N-(4-methylphenyl)-N-{1-[(thiophen-2-yl)methyl]piperidin-4-yl}benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1N(C1CCN(Cc2cccs2)CC1)S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C24H28N2O2S2/c1-19-5-9-21(10-6-19)26(30(27,28)24-11-7-20(2)8-12-24)22-13-15-25(16-14-22)18-23-4-3-17-29-23/h3-12,17,22H,13-16,18H2,1-2H3

InChI Key

UFKVFUKZNFXQMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19913749

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.830

Distribution Coefficient, logD

5.534

Water Solubility, LogSw

-5.57

Polar Surface Area

36.742

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V016-1804 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-1804?
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What is the minimum amount of V016-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-1804
  • 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 V016-1804 available by request