V017-8317 Screening compound: 4-chloro-N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide

V017-8317 Screening compound: 4-chloro-N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide
V017-8317 Screening compound: 4-chloro-N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8317
4-chloro-N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide

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

V017-8317

Molecular Formula

C25H25ClFN5O2 (C25 H25 ClFN5 O2)

Compound Name

4-chloro-N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide

IUPAC name

4-chloro-N-ethyl-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide

SMILES

CCN(CC(N(CC1)CCN1c(cc1)nnc1-c(cc1)ccc1F)=O)C(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C25H25ClFN5O2/c1-2-30(25(34)19-3-7-20(26)8-4-19)17-24(33)32-15-13-31(14-16-32)23-12-11-22(28-29-23)18-5-9-21(27)10-6-18/h3-12H,2,13-17H2,1H3

InChI Key

YRIUJCRJNCVZAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19835684

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.646

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-4.09

Polar Surface Area

56.762

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

V017-8317 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 V017-8317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8317?
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What is the minimum amount of V017-8317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8317
  • 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 V017-8317 available by request