4934-0130 Screening compound: 2-(4-benzhydrylpiperazino)-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-ethanone

4934-0130 Screening compound: 2-(4-benzhydrylpiperazino)-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-ethanone
4934-0130 Screening compound: 2-(4-benzhydrylpiperazino)-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4934-0130
2-(4-benzhydrylpiperazino)-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-ethanone

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

4934-0130

Molecular Formula

C33H33N3O (C33 H33 N3 O)

Compound Name

2-(4-benzhydrylpiperazino)-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-1-ethanone

IUPAC name

1-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}-2-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(CN(CC1)CCN1C(c1ccccc1)c1ccccc1)N(c1c(CC2)cccc1)c1c2cccc1

InChI

InChI=1S/C33H33N3O/c37-32(36-30-17-9-7-11-26(30)19-20-27-12-8-10-18-31(27)36)25-34-21-23-35(24-22-34)33(28-13-3-1-4-14-28)29-15-5-2-6-16-29/h1-18,33H,19-25H2

InChI Key

FBAIPQCDWWZLJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03190435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.314

Distribution Coefficient, logD

6.298

Water Solubility, LogSw

-5.86

Polar Surface Area

20.239

Acid Dissociation Constant (pKa)

21.61

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.24

4934-0130 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4934-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4934-0130?
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What is the minimum amount of 4934-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4934-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4934-0130
  • 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 4934-0130 available by request