V026-3598 Screening compound: 4-chloro-2-{[N-(cyclopropylmethyl)-1-(3-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

V026-3598 Screening compound: 4-chloro-2-{[N-(cyclopropylmethyl)-1-(3-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
V026-3598 Screening compound: 4-chloro-2-{[N-(cyclopropylmethyl)-1-(3-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-3598
4-chloro-2-{[N-(cyclopropylmethyl)-1-(3-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

V026-3598

Molecular Formula

C26H24ClFN2O5S (C26 H24 ClFN2 O5 S)

Compound Name

4-chloro-2-{[N-(cyclopropylmethyl)-1-(3-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

IUPAC name

4-chloro-2-{[N-(cyclopropylmethyl)-1-(3-fluorophenyl)formamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate

SMILES

CC(Nc(cc1)ccc1S(Oc(cc1)c(CN(CC2CC2)C(c2cc(F)ccc2)=O)cc1Cl)(=O)=O)=O

InChI

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

InChI Key

NNLPQQPFLUMUQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20499455

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

4.588

Distribution Coefficient, logD

4.588

Water Solubility, LogSw

-4.76

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

V026-3598 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V026-3598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-3598?
Check Price and Availability of V026-3598, 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 V026-3598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-3598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-3598
  • 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 V026-3598 available by request