V017-6485 Screening compound: N-benzyl-2-chloro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

V017-6485 Screening compound: N-benzyl-2-chloro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
V017-6485 Screening compound: N-benzyl-2-chloro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-6485
N-benzyl-2-chloro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-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

V017-6485

Molecular Formula

C32H32ClN5O2 (C32 H32 ClN5 O2)

Compound Name

N-benzyl-2-chloro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

IUPAC name

N-benzyl-2-chloro-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)benzamide

SMILES

Cc(cc1)ccc1-c(cc1)nnc1N(CCC1)CCN1C(CN(Cc1ccccc1)C(c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C32H32ClN5O2/c1-24-12-14-26(15-13-24)29-16-17-30(35-34-29)36-18-7-19-37(21-20-36)31(39)23-38(22-25-8-3-2-4-9-25)32(40)27-10-5-6-11-28(27)33/h2-6,8-17H,7,18-23H2,1H3

InChI Key

UQNVCYZQKVJGAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19837612

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

554.09

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.162

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.35

Polar Surface Area

57.097

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V017-6485 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

MCL1 Targeted Library (12200 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V017-6485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-6485?
Check Price and Availability of V017-6485, 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 V017-6485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-6485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-6485
  • 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 V017-6485 available by request