V026-4842 Screening compound: 5-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate

V026-4842 Screening compound: 5-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate
V026-4842 Screening compound: 5-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-4842
5-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl ethane-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

V026-4842

Molecular Formula

C22H26FNO6S (C22 H26 FNO6 S)

Compound Name

5-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate

IUPAC name

5-{[1-(3-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc(CN(CC1OCCC1)C(c1cc(F)ccc1)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C22H26FNO6S/c1-3-31(26,27)30-21-12-16(9-10-20(21)28-2)14-24(15-19-8-5-11-29-19)22(25)17-6-4-7-18(23)13-17/h4,6-7,9-10,12-13,19H,3,5,8,11,14-15H2,1-2H3/t19-/m1/s1

InChI Key

VKMKOWUVGHXNGO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19787485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.237

Distribution Coefficient, logD

2.237

Water Solubility, LogSw

-2.70

Polar Surface Area

67.658

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V026-4842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-4842?
Check Price and Availability of V026-4842, 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 V026-4842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-4842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-4842
  • 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 V026-4842 available by request