3046-8794 Screening compound: 3,3-dimethyl-11-(3-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3046-8794 Screening compound: 3,3-dimethyl-11-(3-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3046-8794 Screening compound: 3,3-dimethyl-11-(3-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 3046-8794
3,3-dimethyl-11-(3-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

3046-8794

Molecular Formula

C24H28N2O2 (C24 H28 N2 O2)

Compound Name

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

IUPAC name

1414-dimethyl-10-(3-propoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

CCCOc1cccc(C2Nc(cccc3)c3NC(CC(C)(C)C3)=C2C3=O)c1

InChI

InChI=1S/C24H28N2O2/c1-4-12-28-17-9-7-8-16(13-17)23-22-20(14-24(2,3)15-21(22)27)25-18-10-5-6-11-19(18)26-23/h5-11,13,23,25-26H,4,12,14-15H2,1-3H3/t23-/m0/s1

InChI Key

SRWVLYILVSBFJV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01921817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.5

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

5.177

Distribution Coefficient, logD

5.166

Water Solubility, LogSw

-5.03

Polar Surface Area

44.166

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

3046-8794 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3046-8794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3046-8794?
Check Price and Availability of 3046-8794, 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 3046-8794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8794
  • 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 3046-8794 available by request