V002-5499 Screening compound: 5-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl methanesulfonate

V002-5499 Screening compound: 5-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl methanesulfonate
V002-5499 Screening compound: 5-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5499
5-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl methanesulfonate

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

V002-5499

Molecular Formula

C19H22FNO5S (C19 H22 FNO5 S)

Compound Name

5-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl methanesulfonate

IUPAC name

5-{[1-(3-fluorophenyl)-N-(propan-2-yl)formamido]methyl}-2-methoxyphenyl methanesulfonate

SMILES

CC(C)N(Cc(cc1)cc(OS(C)(=O)=O)c1OC)C(c1cc(F)ccc1)=O

InChI

InChI=1S/C19H22FNO5S/c1-13(2)21(19(22)15-6-5-7-16(20)11-15)12-14-8-9-17(25-3)18(10-14)26-27(4,23)24/h5-11,13H,12H2,1-4H3

InChI Key

FJZYMRHHUJMDEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19977543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-3.17

Polar Surface Area

60.059

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

V002-5499 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 V002-5499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5499?
Check Price and Availability of V002-5499, 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 V002-5499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5499
  • 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 V002-5499 available by request