V026-3587 Screening compound: 4-chloro-2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

V026-3587 Screening compound: 4-chloro-2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
V026-3587 Screening compound: 4-chloro-2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-3587
4-chloro-2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)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

V026-3587

Molecular Formula

C26H24ClFN2O5S (C26 H24 ClFN2 O5 S)

Compound Name

4-chloro-2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

4-chloro-2-{[N-(cyclopropylmethyl)-1-(2-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(Nc(cc1)ccc1S(Oc(cc1)c(CN(CC2CC2)C(c(cccc2)c2F)=O)cc1Cl)(=O)=O)=O

InChI

InChI=1S/C26H24ClFN2O5S/c1-17(31)29-21-9-11-22(12-10-21)36(33,34)35-25-13-8-20(27)14-19(25)16-30(15-18-6-7-18)26(32)23-4-2-3-5-24(23)28/h2-5,8-14,18H,6-7,15-16H2,1H3,(H,29,31)

InChI Key

GQAPJBJAZXFIAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531

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

4.685

Distribution Coefficient, logD

4.684

Water Solubility, LogSw

-4.84

Polar Surface Area

75.811

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V026-3587 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V026-3587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-3587?
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What is the minimum amount of V026-3587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-3587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-3587
  • 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 V026-3587 available by request