V004-1113 Screening compound: 3-{[5-(2H-1,3-benzodioxol-5-yloxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide

V004-1113 Screening compound: 3-{[5-(2H-1,3-benzodioxol-5-yloxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide
V004-1113 Screening compound: 3-{[5-(2H-1,3-benzodioxol-5-yloxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-1113
3-{[5-(2H-1,3-benzodioxol-5-yloxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-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

V004-1113

Molecular Formula

C30H29N5O6 (C30 H29 N5 O6)

Compound Name

3-{[5-(2H-1,3-benzodioxol-5-yloxy)-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

3-{[5-(2H-13-benzodioxol-5-yloxy)-3-oxo-2-phenyl-23-dihydropyridazin-4-yl]amino}-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

O=C(c1cccc(NC(C(N(c2ccccc2)N=C2)=O)=C2Oc(cc2)cc3c2OCO3)c1)NCCN1CCOCC1

InChI

InChI=1S/C30H29N5O6/c36-29(31-11-12-34-13-15-38-16-14-34)21-5-4-6-22(17-21)33-28-27(41-24-9-10-25-26(18-24)40-20-39-25)19-32-35(30(28)37)23-7-2-1-3-8-23/h1-10,17-19,33H,11-16,20H2,(H,31,36)

InChI Key

RZEWVWUADJLPNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829125

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

555.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.56

Polar Surface Area

96.578

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V004-1113 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V004-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-1113?
Check Price and Availability of V004-1113, 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 V004-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-1113
  • 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 V004-1113 available by request