V003-4064 Screening compound: N-(2-{4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(furan-2-yl)methyl]thiophene-2-carboxamide

V003-4064 Screening compound: N-(2-{4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(furan-2-yl)methyl]thiophene-2-carboxamide
V003-4064 Screening compound: N-(2-{4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(furan-2-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-4064
N-(2-{4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(furan-2-yl)methyl]thiophene-2-carboxamide

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

V003-4064

Molecular Formula

C26H23Cl2N5O3S (C26 H23 Cl2 N5 O3 S)

Compound Name

N-(2-{4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(furan-2-yl)methyl]thiophene-2-carboxamide

IUPAC name

N-(2-{4-[6-(24-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N-[(furan-2-yl)methyl]thiophene-2-carboxamide

SMILES

O=C(CN(Cc1ccco1)C(c1cccs1)=O)N(CC1)CCN1c(cc1)nnc1-c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C26H23Cl2N5O3S/c27-18-5-6-20(21(28)15-18)22-7-8-24(30-29-22)31-9-11-32(12-10-31)25(34)17-33(16-19-3-1-13-36-19)26(35)23-4-2-14-37-23/h1-8,13-15H,9-12,16-17H2

InChI Key

BFPCPQFTOBSHML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19828863

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

556.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.698

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-5.07

Polar Surface Area

65.533

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V003-4064 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 V003-4064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-4064?
Check Price and Availability of V003-4064, 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 V003-4064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-4064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-4064
  • 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 V003-4064 available by request