4886-7555 Screening compound: 11-(2-fluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

4886-7555 Screening compound: 11-(2-fluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
4886-7555 Screening compound: 11-(2-fluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4886-7555
11-(2-fluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

4886-7555

Molecular Formula

C23H25FN2O (C23 H25 FN2 O)

Compound Name

11-(2-fluorophenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(2-fluorophenyl)-561414-tetramethyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cc(C)c(C)c2)c2NC2c(cccc3)c3F)=C2C1=O

InChI

InChI=1S/C23H25FN2O/c1-13-9-17-18(10-14(13)2)26-22(15-7-5-6-8-16(15)24)21-19(25-17)11-23(3,4)12-20(21)27/h5-10,22,25-26H,11-12H2,1-4H3/t22-/m0/s1

InChI Key

DABAXTUWUIBBPY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03146871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.46

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.140

Distribution Coefficient, logD

5.133

Water Solubility, LogSw

-5.01

Polar Surface Area

36.748

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4886-7555 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4886-7555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4886-7555?
Check Price and Availability of 4886-7555, 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 4886-7555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4886-7555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4886-7555
  • 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 4886-7555 available by request