V002-6799 Screening compound: 3-{[2-(3-chlorophenyl)-3-oxo-5-[4-(propan-2-yl)phenoxy]-2,3-dihydropyridazin-4-yl]amino}-N-[(furan-2-yl)methyl]benzamide

V002-6799 Screening compound: 3-{[2-(3-chlorophenyl)-3-oxo-5-[4-(propan-2-yl)phenoxy]-2,3-dihydropyridazin-4-yl]amino}-N-[(furan-2-yl)methyl]benzamide
V002-6799 Screening compound: 3-{[2-(3-chlorophenyl)-3-oxo-5-[4-(propan-2-yl)phenoxy]-2,3-dihydropyridazin-4-yl]amino}-N-[(furan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6799
3-{[2-(3-chlorophenyl)-3-oxo-5-[4-(propan-2-yl)phenoxy]-2,3-dihydropyridazin-4-yl]amino}-N-[(furan-2-yl)methyl]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

V002-6799

Molecular Formula

C31H27ClN4O4 (C31 H27 ClN4 O4)

Compound Name

3-{[2-(3-chlorophenyl)-3-oxo-5-[4-(propan-2-yl)phenoxy]-2,3-dihydropyridazin-4-yl]amino}-N-[(furan-2-yl)methyl]benzamide

IUPAC name

3-{[2-(3-chlorophenyl)-3-oxo-5-[4-(propan-2-yl)phenoxy]-23-dihydropyridazin-4-yl]amino}-N-[(furan-2-yl)methyl]benzamide

SMILES

CC(C)c(cc1)ccc1OC(C=NN(c1cccc(Cl)c1)C1=O)=C1Nc1cc(C(NCc2ccco2)=O)ccc1

InChI

InChI=1S/C31H27ClN4O4/c1-20(2)21-11-13-26(14-12-21)40-28-19-34-36(25-9-4-7-23(32)17-25)31(38)29(28)35-24-8-3-6-22(16-24)30(37)33-18-27-10-5-15-39-27/h3-17,19-20,35H,18H2,1-2H3,(H,33,37)

InChI Key

LTZORGSYKWWCBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.03

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.971

Distribution Coefficient, logD

6.940

Water Solubility, LogSw

-6.57

Polar Surface Area

75.479

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

V002-6799 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V002-6799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6799?
Check Price and Availability of V002-6799, 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 V002-6799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6799
  • 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 V002-6799 available by request