V003-3013 Screening compound: N-benzyl-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide

V003-3013 Screening compound: N-benzyl-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide
V003-3013 Screening compound: N-benzyl-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3013
N-benzyl-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide

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

V003-3013

Molecular Formula

C29H35N5O2 (C29 H35 N5 O2)

Compound Name

N-benzyl-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide

IUPAC name

N-benzyl-3-methyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)butanamide

SMILES

CC(C)CC(N(CC(N(CC1)CCN1c(cc1)nnc1-c1ccc(C)cc1)=O)Cc1ccccc1)=O

InChI

InChI=1S/C29H35N5O2/c1-22(2)19-28(35)34(20-24-7-5-4-6-8-24)21-29(36)33-17-15-32(16-18-33)27-14-13-26(30-31-27)25-11-9-23(3)10-12-25/h4-14,22H,15-21H2,1-3H3

InChI Key

OHEBJLCBHUCTIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19827390

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.452

Water Solubility, LogSw

-4.26

Polar Surface Area

56.510

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

V003-3013 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V003-3013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3013?
Check Price and Availability of V003-3013, 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 V003-3013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3013
  • 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 V003-3013 available by request