3096-0064 Screening compound: 11-(2-chloro-6-fluorophenyl)-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3096-0064 Screening compound: 11-(2-chloro-6-fluorophenyl)-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3096-0064 Screening compound: 11-(2-chloro-6-fluorophenyl)-3-phenyl-10-propionyl-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 3096-0064
11-(2-chloro-6-fluorophenyl)-3-phenyl-10-propionyl-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

3096-0064

Molecular Formula

C28H24ClFN2O2 (C28 H24 ClFN2 O2)

Compound Name

11-(2-chloro-6-fluorophenyl)-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(2-chloro-6-fluorophenyl)-14-phenyl-9-propanoyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCC(N(C1c(c(F)ccc2)c2Cl)c(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)=O

InChI

InChI=1S/C28H24ClFN2O2/c1-2-25(34)32-23-14-7-6-13-21(23)31-22-15-18(17-9-4-3-5-10-17)16-24(33)27(22)28(32)26-19(29)11-8-12-20(26)30/h3-14,18,28,31H,2,15-16H2,1H3

InChI Key

CEHFBIFACILYKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.155

Distribution Coefficient, logD

5.976

Water Solubility, LogSw

-6.18

Polar Surface Area

38.637

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

3096-0064 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 3096-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3096-0064?
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What is the minimum amount of 3096-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3096-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3096-0064
  • 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 3096-0064 available by request