6208-0367 Screening compound: 11-(2-furyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-1-isobenzofuranyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

6208-0367 Screening compound: 11-(2-furyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-1-isobenzofuranyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6208-0367 Screening compound: 11-(2-furyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-1-isobenzofuranyl)-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 6208-0367
11-(2-furyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-1-isobenzofuranyl)-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

6208-0367

Molecular Formula

C27H24N2O4 (C27 H24 N2 O4)

Compound Name

11-(2-furyl)-3,3-dimethyl-10-(3-oxo-1,3-dihydro-1-isobenzofuranyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

10-(furan-2-yl)-1414-dimethyl-9-(3-oxo-13-dihydro-2-benzofuran-1-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C(c2c3cccc2)OC3=O)C2c3ccco3)=C2C1=O

InChI

InChI=1S/C27H24N2O4/c1-27(2)14-19-23(21(30)15-27)24(22-12-7-13-32-22)29(20-11-6-5-10-18(20)28-19)25-16-8-3-4-9-17(16)26(31)33-25/h3-13,24-25,28H,14-15H2,1-2H3

InChI Key

PKBRESAPLDCYQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03778832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.625

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.49

Polar Surface Area

55.909

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

6208-0367 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6208-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0367?
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What is the minimum amount of 6208-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0367
  • 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 6208-0367 available by request