V004-4291 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)pentanamide

V004-4291 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)pentanamide
V004-4291 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-4291
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)pentanamide

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

V004-4291

Molecular Formula

C29H33FN4O5S (C29 H33 FN4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C29H33FN4O5S/c1-2-3-8-29(35)32-22-10-11-25(34-15-13-33(14-16-34)24-7-5-4-6-23(24)30)28(18-22)40(36,37)31-19-21-9-12-26-27(17-21)39-20-38-26/h4-7,9-12,17-18,31H,2-3,8,13-16,19-20H2,1H3,(H,32,35)

InChI Key

DIPBFIYVMWUQMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19972583

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

568.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

5.420

Water Solubility, LogSw

-5.28

Polar Surface Area

88.372

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with V004-4291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-4291?
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What is the minimum amount of V004-4291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-4291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-4291
  • 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 V004-4291 available by request