V026-1257 Screening compound: 4-{[2-methoxy-N-(2-methylpropyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

V026-1257 Screening compound: 4-{[2-methoxy-N-(2-methylpropyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
V026-1257 Screening compound: 4-{[2-methoxy-N-(2-methylpropyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-1257
4-{[2-methoxy-N-(2-methylpropyl)acetamido]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

V026-1257

Molecular Formula

C22H28N2O6S (C22 H28 N2 O6 S)

Compound Name

4-{[2-methoxy-N-(2-methylpropyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

4-{[2-methoxy-N-(2-methylpropyl)acetamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(C)CN(Cc(cc1)ccc1OS(c(cc1)ccc1NC(C)=O)(=O)=O)C(COC)=O

InChI

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

InChI Key

NKXLPZRYYJSNKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19788860

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

2.258

Distribution Coefficient, logD

2.258

Water Solubility, LogSw

-2.87

Polar Surface Area

83.641

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V026-1257 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 V026-1257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-1257?
Check Price and Availability of V026-1257, 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 V026-1257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-1257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-1257
  • 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 V026-1257 available by request