V025-5399 Screening compound: 4-chloro-2-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)formamido]methyl}phenyl ethane-1-sulfonate

V025-5399 Screening compound: 4-chloro-2-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)formamido]methyl}phenyl ethane-1-sulfonate
V025-5399 Screening compound: 4-chloro-2-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)formamido]methyl}phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5399
4-chloro-2-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)formamido]methyl}phenyl 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

V025-5399

Molecular Formula

C17H20ClNO5S2 (C17 H20 ClNO5 S2)

Compound Name

4-chloro-2-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)formamido]methyl}phenyl ethane-1-sulfonate

IUPAC name

4-chloro-2-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)formamido]methyl}phenyl ethane-1-sulfonate

SMILES

CCS(Oc(cc1)c(CN(CCOC)C(c2cccs2)=O)cc1Cl)(=O)=O

InChI

InChI=1S/C17H20ClNO5S2/c1-3-26(21,22)24-15-7-6-14(18)11-13(15)12-19(8-9-23-2)17(20)16-5-4-10-25-16/h4-7,10-11H,3,8-9,12H2,1-2H3

InChI Key

JXENXBRTMYSOMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19791408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.222

Distribution Coefficient, logD

3.222

Water Solubility, LogSw

-3.42

Polar Surface Area

60.984

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with V025-5399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5399?
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What is the minimum amount of V025-5399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5399
  • 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 V025-5399 available by request