V002-4148 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclohexanecarboxamide

V002-4148 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclohexanecarboxamide
V002-4148 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4148
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclohexanecarboxamide

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

V002-4148

Molecular Formula

C31H35FN4O5S (C31 H35 FN4 O5 S)

Compound Name

N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclohexanecarboxamide

IUPAC name

N-(3-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc(cc1)cc(S(NCc(cc2)cc3c2OCO3)(=O)=O)c1N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C31H35FN4O5S/c32-25-8-4-5-9-26(25)35-14-16-36(17-15-35)27-12-11-24(34-31(37)23-6-2-1-3-7-23)19-30(27)42(38,39)33-20-22-10-13-28-29(18-22)41-21-40-28/h4-5,8-13,18-19,23,33H,1-3,6-7,14-17,20-21H2,(H,34,37)

InChI Key

CXQYCGUJTNDCBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19972586

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

594.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.835

Distribution Coefficient, logD

5.834

Water Solubility, LogSw

-5.82

Polar Surface Area

88.506

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

V002-4148 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with V002-4148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4148?
Check Price and Availability of V002-4148, 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 V002-4148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4148
  • 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 V002-4148 available by request