V005-7856 Screening compound: 2-chloro-N-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

V005-7856 Screening compound: 2-chloro-N-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide
V005-7856 Screening compound: 2-chloro-N-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-7856
2-chloro-N-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]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

V005-7856

Molecular Formula

C28H28ClFN4O4 (C28 H28 ClFN4 O4)

Compound Name

2-chloro-N-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

2-chloro-N-{2-[3-(4-fluorophenyl)-5-(furan-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

O=C(CN(CCN1CCOCC1)C(c(cccc1)c1Cl)=O)N(C(C1)c2ccco2)N=C1c(cc1)ccc1F

InChI

InChI=1S/C28H28ClFN4O4/c29-23-5-2-1-4-22(23)28(36)33(12-11-32-13-16-37-17-14-32)19-27(35)34-25(26-6-3-15-38-26)18-24(31-34)20-7-9-21(30)10-8-20/h1-10,15,25H,11-14,16-19H2/t25-/m0/s1

InChI Key

MYTONONYVXVUJQ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19801519

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-4.00

Polar Surface Area

63.246

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V005-7856 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V005-7856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-7856?
Check Price and Availability of V005-7856, 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 V005-7856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-7856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-7856
  • 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 V005-7856 available by request