V008-0334 Screening compound: 1-[(4-isopropylphenyl)sulfonyl]-4-[4-(trifluoromethyl)phenethyl]piperidine

V008-0334 Screening compound: 1-[(4-isopropylphenyl)sulfonyl]-4-[4-(trifluoromethyl)phenethyl]piperidine
V008-0334 Screening compound: 1-[(4-isopropylphenyl)sulfonyl]-4-[4-(trifluoromethyl)phenethyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-0334
1-[(4-isopropylphenyl)sulfonyl]-4-[4-(trifluoromethyl)phenethyl]piperidine

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

V008-0334

Molecular Formula

C23H28F3NO2S (C23 H28 F3 NO2 S)

Compound Name

1-[(4-isopropylphenyl)sulfonyl]-4-[4-(trifluoromethyl)phenethyl]piperidine

IUPAC name

1-[4-(propan-2-yl)benzenesulfonyl]-4-{2-[4-(trifluoromethyl)phenyl]ethyl}piperidine

SMILES

CC(C)c(cc1)ccc1S(N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1)(=O)=O

InChI

InChI=1S/C23H28F3NO2S/c1-17(2)20-7-11-22(12-8-20)30(28,29)27-15-13-19(14-16-27)4-3-18-5-9-21(10-6-18)23(24,25)26/h5-12,17,19H,3-4,13-16H2,1-2H3

InChI Key

QOSGFGQKAFZERS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19948991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.657

Distribution Coefficient, logD

6.657

Water Solubility, LogSw

-5.98

Polar Surface Area

31.678

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

V008-0334 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V008-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0334?
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What is the minimum amount of V008-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0334
  • 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 V008-0334 available by request