6364-0052 Screening compound: 11-(2-hydroxy-3-methoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

6364-0052 Screening compound: 11-(2-hydroxy-3-methoxyphenyl)-3,3,7,8-tetramethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6364-0052 Screening compound: 11-(2-hydroxy-3-methoxyphenyl)-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 6364-0052
11-(2-hydroxy-3-methoxyphenyl)-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

6364-0052

Molecular Formula

C24H28N2O3 (C24 H28 N2 O3)

Compound Name

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

IUPAC name

10-(2-hydroxy-3-methoxyphenyl)-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(cccc3OC)c3O)=C2C1=O

InChI

InChI=1S/C24H28N2O3/c1-13-9-16-17(10-14(13)2)26-22(15-7-6-8-20(29-5)23(15)28)21-18(25-16)11-24(3,4)12-19(21)27/h6-10,22,25-26,28H,11-12H2,1-5H3/t22-/m0/s1

InChI Key

QZFRUQQBCQKZLN-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03692151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.742

Water Solubility, LogSw

-4.50

Polar Surface Area

59.858

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

11.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

6364-0052 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 6364-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6364-0052?
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What is the minimum amount of 6364-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6364-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6364-0052
  • 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 6364-0052 available by request