V014-5801 Screening compound: 2-{[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

V014-5801 Screening compound: 2-{[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
V014-5801 Screening compound: 2-{[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5801
2-{[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

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

V014-5801

Molecular Formula

C24H23F2NO4S (C24 H23 F2 NO4 S)

Compound Name

2-{[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

2-{[1-(3-fluorophenyl)-N-(2-methylpropyl)formamido]methyl}phenyl 4-fluorobenzene-1-sulfonate

SMILES

CC(C)CN(Cc(cccc1)c1OS(c(cc1)ccc1F)(=O)=O)C(c1cc(F)ccc1)=O

InChI

InChI=1S/C24H23F2NO4S/c1-17(2)15-27(24(28)18-7-5-8-21(26)14-18)16-19-6-3-4-9-23(19)31-32(29,30)22-12-10-20(25)11-13-22/h3-14,17H,15-16H2,1-2H3

InChI Key

XKHUHYYFWZKYPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.166

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-5.08

Polar Surface Area

52.298

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with V014-5801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5801?
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What is the minimum amount of V014-5801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5801
  • 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 V014-5801 available by request