6364-0084 Screening compound: 3,3,7,8-tetramethyl-11-(4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

6364-0084 Screening compound: 3,3,7,8-tetramethyl-11-(4-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
6364-0084 Screening compound: 3,3,7,8-tetramethyl-11-(4-propoxyphenyl)-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 6364-0084
3,3,7,8-tetramethyl-11-(4-propoxyphenyl)-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

6364-0084

Molecular Formula

C26H32N2O2 (C26 H32 N2 O2)

Compound Name

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

IUPAC name

561414-tetramethyl-10-(4-propoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCCOc1ccc(C2Nc(cc(C)c(C)c3)c3NC(CC(C)(C)C3)=C2C3=O)cc1

InChI

InChI=1S/C26H32N2O2/c1-6-11-30-19-9-7-18(8-10-19)25-24-22(14-26(4,5)15-23(24)29)27-20-12-16(2)17(3)13-21(20)28-25/h7-10,12-13,25,27-28H,6,11,14-15H2,1-5H3/t25-/m0/s1

InChI Key

UMDPAQYCGJZZNO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03687594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.864

Distribution Coefficient, logD

5.855

Water Solubility, LogSw

-5.50

Polar Surface Area

44.166

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

6364-0084 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6364-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6364-0084?
Check Price and Availability of 6364-0084, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6364-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6364-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6364-0084
  • 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 6364-0084 available by request