3058-5040 Screening compound: 11-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3058-5040 Screening compound: 11-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3058-5040 Screening compound: 11-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-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 3058-5040
11-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-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

3058-5040

Molecular Formula

C28H28N2O3 (C28 H28 N2 O3)

Compound Name

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

IUPAC name

10-(2-ethoxyphenyl)-14-(4-methoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCOc1c(C2Nc(cccc3)c3NC(CC(C3)c(cc4)ccc4OC)=C2C3=O)cccc1

InChI

InChI=1S/C28H28N2O3/c1-3-33-26-11-7-4-8-21(26)28-27-24(29-22-9-5-6-10-23(22)30-28)16-19(17-25(27)31)18-12-14-20(32-2)15-13-18/h4-15,19,28-30H,3,16-17H2,1-2H3

InChI Key

KUVCTWBIVUECOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.900

Distribution Coefficient, logD

5.884

Water Solubility, LogSw

-5.58

Polar Surface Area

51.231

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

3058-5040 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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 3058-5040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3058-5040?
Check Price and Availability of 3058-5040, 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 3058-5040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3058-5040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3058-5040
  • 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 3058-5040 available by request