V026-6272 Screening compound: 2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

V026-6272 Screening compound: 2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
V026-6272 Screening compound: 2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-6272
2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-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

V026-6272

Molecular Formula

C22H28N2O6S (C22 H28 N2 O6 S)

Compound Name

2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

2-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(C)C(N(CCOC)Cc(cccc1)c1OS(c(cc1)ccc1NC(C)=O)(=O)=O)=O

InChI

InChI=1S/C22H28N2O6S/c1-16(2)22(26)24(13-14-29-4)15-18-7-5-6-8-21(18)30-31(27,28)20-11-9-19(10-12-20)23-17(3)25/h5-12,16H,13-15H2,1-4H3,(H,23,25)

InChI Key

OQHFUMRLDVIVQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.642

Distribution Coefficient, logD

2.642

Water Solubility, LogSw

-3.26

Polar Surface Area

84.152

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V026-6272 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V026-6272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-6272?
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What is the minimum amount of V026-6272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-6272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-6272
  • 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 V026-6272 available by request