V030-5972 Screening compound: 2-methoxy-5-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate

V030-5972 Screening compound: 2-methoxy-5-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
V030-5972 Screening compound: 2-methoxy-5-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5972
2-methoxy-5-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 3,4-dichlorobenzene-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

V030-5972

Molecular Formula

C19H21Cl2NO6S (C19 H21 Cl2 NO6 S)

Compound Name

2-methoxy-5-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate

IUPAC name

2-methoxy-5-{[N-(2-methoxyethyl)acetamido]methyl}phenyl 34-dichlorobenzene-1-sulfonate

SMILES

CC(N(CCOC)Cc(cc1)cc(OS(c(cc2)cc(Cl)c2Cl)(=O)=O)c1OC)=O

InChI

InChI=1S/C19H21Cl2NO6S/c1-13(23)22(8-9-26-2)12-14-4-7-18(27-3)19(10-14)28-29(24,25)15-5-6-16(20)17(21)11-15/h4-7,10-11H,8-9,12H2,1-3H3

InChI Key

XEKWTCREHIHSCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.35

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

3.120

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.42

Polar Surface Area

68.988

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

V030-5972 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 V030-5972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5972?
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What is the minimum amount of V030-5972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5972
  • 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 V030-5972 available by request