V005-0696 Screening compound: 2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-(1-phenylethyl)benzamide

V005-0696 Screening compound: 2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-(1-phenylethyl)benzamide
V005-0696 Screening compound: 2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-(1-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0696
2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-(1-phenylethyl)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

V005-0696

Molecular Formula

C33H35N5O2 (C33 H35 N5 O2)

Compound Name

2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethyl}-N-(1-phenylethyl)benzamide

IUPAC name

2-methyl-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)-14-diazepan-1-yl]ethyl}-N-(1-phenylethyl)benzamide

SMILES

CC(c1ccccc1)N(CC(N(CCC1)CCN1c(cc1)nnc1-c1ccccc1)=O)C(c1c(C)cccc1)=O

InChI

InChI=1S/C33H35N5O2/c1-25-12-9-10-17-29(25)33(40)38(26(2)27-13-5-3-6-14-27)24-32(39)37-21-11-20-36(22-23-37)31-19-18-30(34-35-31)28-15-7-4-8-16-28/h3-10,12-19,26H,11,20-24H2,1-2H3/t26-/m0/s1

InChI Key

AOUUJUXMUSKQSU-SANMLTNESA-N

MDL Number (MFCD)

MFCD19832932

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.67

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

5.365

Distribution Coefficient, logD

5.359

Water Solubility, LogSw

-5.39

Polar Surface Area

56.461

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

5.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V005-0696 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V005-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0696?
Check Price and Availability of V005-0696, 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 V005-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0696
  • 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 V005-0696 available by request