V007-4601 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide

V007-4601 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide
V007-4601 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-4601
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide

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

V007-4601

Molecular Formula

C34H35N5O6 (C34 H35 N5 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(24-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-2-phenylacetamide

SMILES

COc(cc1)cc(OC)c1-c(cc1)nnc1N(CC1)CCN1C(CN(Cc(cc1)cc2c1OCO2)C(Cc1ccccc1)=O)=O

InChI

InChI=1S/C34H35N5O6/c1-42-26-9-10-27(30(20-26)43-2)28-11-13-32(36-35-28)37-14-16-38(17-15-37)34(41)22-39(33(40)19-24-6-4-3-5-7-24)21-25-8-12-29-31(18-25)45-23-44-29/h3-13,18,20H,14-17,19,21-23H2,1-2H3

InChI Key

GLGBRTJELWOZEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834337

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

609.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.008

Distribution Coefficient, logD

4.005

Water Solubility, LogSw

-4.32

Polar Surface Area

88.528

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

V007-4601 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 V007-4601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-4601?
Check Price and Availability of V007-4601, 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 V007-4601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-4601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-4601
  • 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 V007-4601 available by request