V003-5789 Screening compound: N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]cyclobutanecarboxamide

V003-5789 Screening compound: N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]cyclobutanecarboxamide
V003-5789 Screening compound: N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5789
N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]cyclobutanecarboxamide

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

V003-5789

Molecular Formula

C29H40N6O5 (C29 H40 N6 O5)

Compound Name

N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]cyclobutanecarboxamide

IUPAC name

N-(2-{4-[6-(24-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]cyclobutanecarboxamide

SMILES

COc(cc1)cc(OC)c1-c(cc1)nnc1N(CC1)CCN1C(CN(CCN1CCOCC1)C(C1CCC1)=O)=O

InChI

InChI=1S/C29H40N6O5/c1-38-23-6-7-24(26(20-23)39-2)25-8-9-27(31-30-25)33-12-14-34(15-13-33)28(36)21-35(29(37)22-4-3-5-22)11-10-32-16-18-40-19-17-32/h6-9,20,22H,3-5,10-19,21H2,1-2H3

InChI Key

XAGNYYPTAFDVHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19839356

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.67

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

1.345

Distribution Coefficient, logD

1.313

Water Solubility, LogSw

-2.30

Polar Surface Area

84.332

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.60

V003-5789 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V003-5789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5789?
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What is the minimum amount of V003-5789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5789
  • 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 V003-5789 available by request