V025-1546 Screening compound: 3-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate

V025-1546 Screening compound: 3-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
V025-1546 Screening compound: 3-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-1546
3-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}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

V025-1546

Molecular Formula

C25H26N2O6S (C25 H26 N2 O6 S)

Compound Name

3-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

3-({1-cyclobutyl-N-[(furan-2-yl)methyl]formamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(Nc(cc1)ccc1S(Oc1cc(CN(Cc2ccco2)C(C2CCC2)=O)ccc1)(=O)=O)=O

InChI

InChI=1S/C25H26N2O6S/c1-18(28)26-21-10-12-24(13-11-21)34(30,31)33-22-8-2-5-19(15-22)16-27(17-23-9-4-14-32-23)25(29)20-6-3-7-20/h2,4-5,8-15,20H,3,6-7,16-17H2,1H3,(H,26,28)

InChI Key

BLHCCNPEFCWYCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19794187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.068

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.52

Polar Surface Area

83.473

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V025-1546 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 V025-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-1546?
Check Price and Availability of V025-1546, 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 V025-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-1546
  • 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 V025-1546 available by request