V001-3421 Screening compound: 4-{N-[(4-fluorophenyl)methyl]-2-(N-propylpropane-1-sulfonamido)acetamido}-N-(4-nitrophenyl)piperidine-1-carboxamide

V001-3421 Screening compound: 4-{N-[(4-fluorophenyl)methyl]-2-(N-propylpropane-1-sulfonamido)acetamido}-N-(4-nitrophenyl)piperidine-1-carboxamide
V001-3421 Screening compound: 4-{N-[(4-fluorophenyl)methyl]-2-(N-propylpropane-1-sulfonamido)acetamido}-N-(4-nitrophenyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3421
4-{N-[(4-fluorophenyl)methyl]-2-(N-propylpropane-1-sulfonamido)acetamido}-N-(4-nitrophenyl)piperidine-1-carboxamide

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

V001-3421

Molecular Formula

C27H36FN5O6S (C27 H36 FN5 O6 S)

Compound Name

4-{N-[(4-fluorophenyl)methyl]-2-(N-propylpropane-1-sulfonamido)acetamido}-N-(4-nitrophenyl)piperidine-1-carboxamide

IUPAC name

4-{N-[(4-fluorophenyl)methyl]-2-(N-propylpropane-1-sulfonamido)acetamido}-N-(4-nitrophenyl)piperidine-1-carboxamide

SMILES

CCCN(CC(N(Cc(cc1)ccc1F)C(CC1)CCN1C(Nc(cc1)ccc1[N+]([O-])=O)=O)=O)S(CCC)(=O)=O

InChI

InChI=1S/C27H36FN5O6S/c1-3-15-31(40(38,39)18-4-2)20-26(34)32(19-21-5-7-22(28)8-6-21)24-13-16-30(17-14-24)27(35)29-23-9-11-25(12-10-23)33(36)37/h5-12,24H,3-4,13-20H2,1-2H3,(H,29,35)

InChI Key

GETJOJXFJVFBQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19971039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.68

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.843

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-3.82

Polar Surface Area

105.345

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with V001-3421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3421?
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What is the minimum amount of V001-3421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3421
  • 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 V001-3421 available by request