6208-0365 Screening compound: 11-[4-(tert-butyl)phenyl]-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

6208-0365 Screening compound: 11-[4-(tert-butyl)phenyl]-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
6208-0365 Screening compound: 11-[4-(tert-butyl)phenyl]-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 6208-0365
11-[4-(tert-butyl)phenyl]-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

6208-0365

Molecular Formula

C33H34N2O3 (C33 H34 N2 O3)

Compound Name

11-[4-(tert-butyl)phenyl]-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-(4-tert-butylphenyl)-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)(C)c1ccc(C2N(C(c3c4cccc3)OC4=O)c(cccc3)c3NC(CC(C)(C)C3)=C2C3=O)cc1

InChI

InChI=1S/C33H34N2O3/c1-32(2,3)21-16-14-20(15-17-21)29-28-25(18-33(4,5)19-27(28)36)34-24-12-8-9-13-26(24)35(29)30-22-10-6-7-11-23(22)31(37)38-30/h6-17,29-30,34H,18-19H2,1-5H3

InChI Key

NAVOUIBTHXWYGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03778830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.219

Distribution Coefficient, logD

7.193

Water Solubility, LogSw

-5.76

Polar Surface Area

47.331

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

6208-0365 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6208-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6208-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0365
  • 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 6208-0365 available by request