V009-4442 Screening compound: N~1~-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N~1~-(1-phenylethyl)-1-cyclobutanecarboxamide

V009-4442 Screening compound: N~1~-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N~1~-(1-phenylethyl)-1-cyclobutanecarboxamide
V009-4442 Screening compound: N~1~-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N~1~-(1-phenylethyl)-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-4442
N~1~-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N~1~-(1-phenylethyl)-1-cyclobutanecarboxamide

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

V009-4442

Molecular Formula

C30H34ClN5O2 (C30 H34 ClN5 O2)

Compound Name

N~1~-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N~1~-(1-phenylethyl)-1-cyclobutanecarboxamide

IUPAC name

N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)-N-(1-phenylethyl)cyclobutanecarboxamide

SMILES

CC(c1ccccc1)N(CC(N(CCC1)CCN1c(cc1)nnc1-c(cccc1)c1Cl)=O)C(C1CCC1)=O

InChI

InChI=1S/C30H34ClN5O2/c1-22(23-9-3-2-4-10-23)36(30(38)24-11-7-12-24)21-29(37)35-18-8-17-34(19-20-35)28-16-15-27(32-33-28)25-13-5-6-14-26(25)31/h2-6,9-10,13-16,22,24H,7-8,11-12,17-21H2,1H3/t22-/m0/s1

InChI Key

KHGMCKYOJYSLCG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19831392

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.09

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

4.511

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.60

Polar Surface Area

56.984

Acid Dissociation Constant (pKa)

23.04

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V009-4442 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V009-4442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-4442?
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What is the minimum amount of V009-4442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-4442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-4442
  • 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 V009-4442 available by request