V009-4468 Screening compound: N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methoxybenzamide

V009-4468 Screening compound: N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methoxybenzamide
V009-4468 Screening compound: N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4468
N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methoxybenzamide

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

V009-4468

Molecular Formula

C28H32ClN5O3 (C28 H32 ClN5 O3)

Compound Name

N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methoxybenzamide

IUPAC name

N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-3-methoxybenzamide

SMILES

CCC(C)N(CC(N(CC1)CCN1c(cc1)nnc1-c(cccc1)c1Cl)=O)C(c1cc(OC)ccc1)=O

InChI

InChI=1S/C28H32ClN5O3/c1-4-20(2)34(28(36)21-8-7-9-22(18-21)37-3)19-27(35)33-16-14-32(15-17-33)26-13-12-25(30-31-26)23-10-5-6-11-24(23)29/h5-13,18,20H,4,14-17,19H2,1-3H3/t20-/m0/s1

InChI Key

ITURPFMRURPQGT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19839948

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.399

Distribution Coefficient, logD

4.395

Water Solubility, LogSw

-4.62

Polar Surface Area

63.909

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

V009-4468 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-4468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4468?
Check Price and Availability of V009-4468, 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 V009-4468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4468
  • 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 V009-4468 available by request