5750-1865 Screening compound: 2-chloro-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-phenyl-1-ethanone

5750-1865 Screening compound: 2-chloro-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-phenyl-1-ethanone
5750-1865 Screening compound: 2-chloro-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-phenyl-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-1865
2-chloro-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-phenyl-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

5750-1865

Molecular Formula

C22H18ClNO (C22 H18 ClNO)

Compound Name

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

IUPAC name

1-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-2-yl}-2-chloro-2-phenylethan-1-one

SMILES

O=C(C(c1ccccc1)Cl)N(c1c(CC2)cccc1)c1c2cccc1

InChI

InChI=1S/C22H18ClNO/c23-21(18-10-2-1-3-11-18)22(25)24-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)24/h1-13,21H,14-15H2/t21-/m1/s1

InChI Key

CHIQMAZRNRMOSD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02237565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.84

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.735

Distribution Coefficient, logD

5.735

Water Solubility, LogSw

-5.74

Polar Surface Area

14.201

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

5750-1865 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5750-1865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-1865?
Check Price and Availability of 5750-1865, 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 5750-1865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-1865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-1865
  • 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 5750-1865 available by request