V021-4005 Screening compound: N-{1-[(2,6-difluorophenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzene-1-sulfonamide

V021-4005 Screening compound: N-{1-[(2,6-difluorophenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzene-1-sulfonamide
V021-4005 Screening compound: N-{1-[(2,6-difluorophenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4005
N-{1-[(2,6-difluorophenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzene-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

V021-4005

Molecular Formula

C25H25F3N2O2S (C25 H25 F3 N2 O2 S)

Compound Name

N-{1-[(2,6-difluorophenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzene-1-sulfonamide

IUPAC name

N-{1-[(26-difluorophenyl)methyl]piperidin-4-yl}-N-(4-fluorophenyl)-3-methylbenzene-1-sulfonamide

SMILES

Cc1cccc(S(N(C2CCN(Cc(c(F)ccc3)c3F)CC2)c(cc2)ccc2F)(=O)=O)c1

InChI

InChI=1S/C25H25F3N2O2S/c1-18-4-2-5-22(16-18)33(31,32)30(20-10-8-19(26)9-11-20)21-12-14-29(15-13-21)17-23-24(27)6-3-7-25(23)28/h2-11,16,21H,12-15,17H2,1H3

InChI Key

HZJFHYGPFYDYJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19905939

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

474.55

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

5.753

Distribution Coefficient, logD

5.658

Water Solubility, LogSw

-5.61

Polar Surface Area

35.724

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with V021-4005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4005?
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What is the minimum amount of V021-4005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4005
  • 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 V021-4005 available by request