V025-5581 Screening compound: 5-{[1-(2-chlorophenyl)-N-cyclopropylformamido]methyl}-2-methoxyphenyl ethane-1-sulfonate

V025-5581 Screening compound: 5-{[1-(2-chlorophenyl)-N-cyclopropylformamido]methyl}-2-methoxyphenyl ethane-1-sulfonate
V025-5581 Screening compound: 5-{[1-(2-chlorophenyl)-N-cyclopropylformamido]methyl}-2-methoxyphenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5581
5-{[1-(2-chlorophenyl)-N-cyclopropylformamido]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

V025-5581

Molecular Formula

C20H22ClNO5S (C20 H22 ClNO5 S)

Compound Name

5-{[1-(2-chlorophenyl)-N-cyclopropylformamido]methyl}-2-methoxyphenyl ethane-1-sulfonate

IUPAC name

5-{[1-(2-chlorophenyl)-N-cyclopropylformamido]methyl}-2-methoxyphenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc(CN(C1CC1)C(c(cccc1)c1Cl)=O)cc1)c1OC)(=O)=O

InChI

InChI=1S/C20H22ClNO5S/c1-3-28(24,25)27-19-12-14(8-11-18(19)26-2)13-22(15-9-10-15)20(23)16-6-4-5-7-17(16)21/h4-8,11-12,15H,3,9-10,13H2,1-2H3

InChI Key

OSAURHDIDHWMCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.68

Polar Surface Area

58.579

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

V025-5581 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 V025-5581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5581?
Check Price and Availability of V025-5581, 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 V025-5581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5581
  • 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 V025-5581 available by request