V002-6885 Screening compound: 5-(2H-1,3-benzodioxol-5-yloxy)-2-(4-methylphenyl)-4-{[4-(4-methylpiperazine-1-carbonyl)phenyl]amino}-2,3-dihydropyridazin-3-one

V002-6885 Screening compound: 5-(2H-1,3-benzodioxol-5-yloxy)-2-(4-methylphenyl)-4-{[4-(4-methylpiperazine-1-carbonyl)phenyl]amino}-2,3-dihydropyridazin-3-one
V002-6885 Screening compound: 5-(2H-1,3-benzodioxol-5-yloxy)-2-(4-methylphenyl)-4-{[4-(4-methylpiperazine-1-carbonyl)phenyl]amino}-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-6885
5-(2H-1,3-benzodioxol-5-yloxy)-2-(4-methylphenyl)-4-{[4-(4-methylpiperazine-1-carbonyl)phenyl]amino}-2,3-dihydropyridazin-3-one

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

V002-6885

Molecular Formula

C30H29N5O5 (C30 H29 N5 O5)

Compound Name

5-(2H-1,3-benzodioxol-5-yloxy)-2-(4-methylphenyl)-4-{[4-(4-methylpiperazine-1-carbonyl)phenyl]amino}-2,3-dihydropyridazin-3-one

IUPAC name

5-(2H-13-benzodioxol-5-yloxy)-2-(4-methylphenyl)-4-{[4-(4-methylpiperazine-1-carbonyl)phenyl]amino}-23-dihydropyridazin-3-one

SMILES

Cc(cc1)ccc1N(C1=O)N=CC(Oc(cc2)cc3c2OCO3)=C1Nc(cc1)ccc1C(N1CCN(C)CC1)=O

InChI

InChI=1S/C30H29N5O5/c1-20-3-9-23(10-4-20)35-30(37)28(27(18-31-35)40-24-11-12-25-26(17-24)39-19-38-25)32-22-7-5-21(6-8-22)29(36)34-15-13-33(2)14-16-34/h3-12,17-18,32H,13-16,19H2,1-2H3

InChI Key

PEVORYAEIITBSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19831876

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.243

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.59

Polar Surface Area

80.557

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

V002-6885 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 V002-6885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-6885?
Check Price and Availability of V002-6885, 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 V002-6885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-6885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-6885
  • 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 V002-6885 available by request