6364-0083 Screening compound: 11-(4-hydroxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

6364-0083 Screening compound: 11-(4-hydroxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6364-0083 Screening compound: 11-(4-hydroxyphenyl)-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 6364-0083
11-(4-hydroxyphenyl)-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

6364-0083

Molecular Formula

C23H26N2O2 (C23 H26 N2 O2)

Compound Name

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

IUPAC name

10-(4-hydroxyphenyl)-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(cc3)ccc3O)=C2C1=O

InChI

InChI=1S/C23H26N2O2/c1-13-9-17-18(10-14(13)2)25-22(15-5-7-16(26)8-6-15)21-19(24-17)11-23(3,4)12-20(21)27/h5-10,22,24-26H,11-12H2,1-4H3/t22-/m0/s1

InChI Key

ZZVBNYDWOMIYKX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04022577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.32

Polar Surface Area

54.365

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

6364-0083 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)

MCE-18 Trends in Medicinal Chemistry (51288 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 6364-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6364-0083?
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What is the minimum amount of 6364-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6364-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6364-0083
  • 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 6364-0083 available by request