V004-2222 Screening compound: N-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-2-fluoro-N-(3-methylbutyl)benzamide

V004-2222 Screening compound: N-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-2-fluoro-N-(3-methylbutyl)benzamide
V004-2222 Screening compound: N-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-2-fluoro-N-(3-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2222
N-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-2-fluoro-N-(3-methylbutyl)benzamide

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

V004-2222

Molecular Formula

C34H36FN5O2 (C34 H36 FN5 O2)

Compound Name

N-{2-[4-(6-{[1,1'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-2-fluoro-N-(3-methylbutyl)benzamide

IUPAC name

N-{2-[4-(6-{[11'-biphenyl]-4-yl}pyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}-2-fluoro-N-(3-methylbutyl)benzamide

SMILES

CC(C)CCN(CC(N(CC1)CCN1c(cc1)nnc1-c(cc1)ccc1-c1ccccc1)=O)C(c(cccc1)c1F)=O

InChI

InChI=1S/C34H36FN5O2/c1-25(2)18-19-40(34(42)29-10-6-7-11-30(29)35)24-33(41)39-22-20-38(21-23-39)32-17-16-31(36-37-32)28-14-12-27(13-15-28)26-8-4-3-5-9-26/h3-17,25H,18-24H2,1-2H3

InChI Key

GWFQVTLTCYOUDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840205

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

565.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.166

Distribution Coefficient, logD

6.165

Water Solubility, LogSw

-5.72

Polar Surface Area

56.744

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

V004-2222 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 V004-2222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2222?
Check Price and Availability of V004-2222, 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 V004-2222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2222
  • 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 V004-2222 available by request