V026-5741 Screening compound: 2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

V026-5741 Screening compound: 2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
V026-5741 Screening compound: 2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5741
2-{[N-(butan-2-yl)-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

V026-5741

Molecular Formula

C23H30N2O5S (C23 H30 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-6-17(4)25(23(27)16(2)3)15-19-9-7-8-10-22(19)30-31(28,29)21-13-11-20(12-14-21)24-18(5)26/h7-14,16-17H,6,15H2,1-5H3,(H,24,26)/t17-/m0/s1

InChI Key

NPYYLPHLVKYQIX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19784653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.04

Polar Surface Area

75.159

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

V026-5741 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 V026-5741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5741?
Check Price and Availability of V026-5741, 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 V026-5741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5741
  • 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 V026-5741 available by request