6208-0358 Screening compound: 10-(1H-1,3-benzimidazol-2-ylmethyl)-3,3-dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

6208-0358 Screening compound: 10-(1H-1,3-benzimidazol-2-ylmethyl)-3,3-dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6208-0358 Screening compound: 10-(1H-1,3-benzimidazol-2-ylmethyl)-3,3-dimethyl-11-phenyl-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 6208-0358
10-(1H-1,3-benzimidazol-2-ylmethyl)-3,3-dimethyl-11-phenyl-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

6208-0358

Molecular Formula

C29H28N4O (C29 H28 N4 O)

Compound Name

10-(1H-1,3-benzimidazol-2-ylmethyl)-3,3-dimethyl-11-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

9-[(1H-13-benzodiazol-2-yl)methyl]-1414-dimethyl-10-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(Cc2nc(cccc3)c3[nH]2)C2c3ccccc3)=C2C1=O

InChI

InChI=1S/C29H28N4O/c1-29(2)16-23-27(25(34)17-29)28(19-10-4-3-5-11-19)33(24-15-9-8-14-22(24)30-23)18-26-31-20-12-6-7-13-21(20)32-26/h3-15,28,30H,16-18H2,1-2H3,(H,31,32)/t28-/m0/s1

InChI Key

LSFLZNUJDFQEQS-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD03778823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.988

Distribution Coefficient, logD

5.968

Water Solubility, LogSw

-5.58

Polar Surface Area

46.862

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

6208-0358 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 6208-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6208-0358?
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What is the minimum amount of 6208-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6208-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6208-0358
  • 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 6208-0358 available by request