V027-0439 Screening compound: 5-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

V027-0439 Screening compound: 5-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate
V027-0439 Screening compound: 5-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-0439
5-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]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

V027-0439

Molecular Formula

C20H25FN2O5S (C20 H25 FN2 O5 S)

Compound Name

5-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

IUPAC name

5-{[(ethylcarbamoyl)[(4-fluorophenyl)methyl]amino]methyl}-2-methoxyphenyl ethane-1-sulfonate

SMILES

CCNC(N(Cc(cc1)ccc1F)Cc(cc1)cc(OS(CC)(=O)=O)c1OC)=O

InChI

InChI=1S/C20H25FN2O5S/c1-4-22-20(24)23(13-15-6-9-17(21)10-7-15)14-16-8-11-18(27-3)19(12-16)28-29(25,26)5-2/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)

InChI Key

PRJYQSXVEWABRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19790062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-3.01

Polar Surface Area

69.044

Acid Dissociation Constant (pKa)

17.10

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V027-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-0439?
Check Price and Availability of V027-0439, 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 V027-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-0439
  • 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 V027-0439 available by request