V029-8482 Screening compound: 2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate

V029-8482 Screening compound: 2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
V029-8482 Screening compound: 2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-8482
2-methoxy-5-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]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

V029-8482

Molecular Formula

C23H29Cl2NO6S (C23 H29 Cl2 NO6 S)

Compound Name

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

IUPAC name

2-methoxy-5-{[N-(2-methoxyethyl)-33-dimethylbutanamido]methyl}phenyl 34-dichlorobenzene-1-sulfonate

SMILES

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

InChI

InChI=1S/C23H29Cl2NO6S/c1-23(2,3)14-22(27)26(10-11-30-4)15-16-6-9-20(31-5)21(12-16)32-33(28,29)17-7-8-18(24)19(25)13-17/h6-9,12-13H,10-11,14-15H2,1-5H3

InChI Key

PEFRTFHKEOGQHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.940

Distribution Coefficient, logD

4.940

Water Solubility, LogSw

-4.99

Polar Surface Area

67.993

Acid Dissociation Constant (pKa)

26.91

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

V029-8482 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 V029-8482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-8482?
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What is the minimum amount of V029-8482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-8482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-8482
  • 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 V029-8482 available by request