V017-7966 Screening compound: N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}-4-methyl-N-phenylbenzene-1-sulfonamide

V017-7966 Screening compound: N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}-4-methyl-N-phenylbenzene-1-sulfonamide
V017-7966 Screening compound: N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}-4-methyl-N-phenylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-7966
N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}-4-methyl-N-phenylbenzene-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

V017-7966

Molecular Formula

C26H30N2O4S (C26 H30 N2 O4 S)

Compound Name

N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}-4-methyl-N-phenylbenzene-1-sulfonamide

IUPAC name

N-{1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}-4-methyl-N-phenylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(N(C1CCN(Cc(cc2)cc(OC)c2O)CC1)c1ccccc1)(=O)=O

InChI

InChI=1S/C26H30N2O4S/c1-20-8-11-24(12-9-20)33(30,31)28(22-6-4-3-5-7-22)23-14-16-27(17-15-23)19-21-10-13-25(29)26(18-21)32-2/h3-13,18,23,29H,14-17,19H2,1-2H3

InChI Key

FOBDQNDJEKUBMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19913851

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-4.06

Polar Surface Area

59.902

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

V017-7966 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-7966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-7966?
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What is the minimum amount of V017-7966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-7966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-7966
  • 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 V017-7966 available by request