3966-0064 Screening compound: N~1~-{5-[2-(4-methylpiperazino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide

3966-0064 Screening compound: N~1~-{5-[2-(4-methylpiperazino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide
3966-0064 Screening compound: N~1~-{5-[2-(4-methylpiperazino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-0064
N~1~-{5-[2-(4-methylpiperazino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide

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

3966-0064

Molecular Formula

C29H40N4O2 (C29 H40 N4 O2)

Compound Name

N~1~-{5-[2-(4-methylpiperazino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}-2-propylpentanamide

IUPAC name

N-{2-[2-(4-methylpiperazin-1-yl)acetyl]-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-2-propylpentanamide

SMILES

CCCC(CCC)C(Nc1cc(N(C(CN2CCN(C)CC2)=O)c2c(CC3)cccc2)c3cc1)=O

InChI

InChI=1S/C29H40N4O2/c1-4-8-24(9-5-2)29(35)30-25-15-14-23-13-12-22-10-6-7-11-26(22)33(27(23)20-25)28(34)21-32-18-16-31(3)17-19-32/h6-7,10-11,14-15,20,24H,4-5,8-9,12-13,16-19,21H2,1-3H3,(H,30,35)

InChI Key

PZNUHALATWNVBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02050979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.170

Distribution Coefficient, logD

4.501

Water Solubility, LogSw

-4.95

Polar Surface Area

44.517

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

7.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.70

3966-0064 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3966-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-0064?
Check Price and Availability of 3966-0064, 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 3966-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-0064
  • 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 3966-0064 available by request