3404-5357 Screening compound: 11-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3404-5357 Screening compound: 11-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3404-5357 Screening compound: 11-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-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 3404-5357
11-(3-ethoxy-4-hydroxyphenyl)-3-phenyl-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

3404-5357

Molecular Formula

C27H26N2O3 (C27 H26 N2 O3)

Compound Name

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

IUPAC name

10-(3-ethoxy-4-hydroxyphenyl)-14-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCOc(cc(C1Nc(cccc2)c2NC(CC(C2)c3ccccc3)=C1C2=O)cc1)c1O

InChI

InChI=1S/C27H26N2O3/c1-2-32-25-16-18(12-13-23(25)30)27-26-22(28-20-10-6-7-11-21(20)29-27)14-19(15-24(26)31)17-8-4-3-5-9-17/h3-13,16,19,27-30H,2,14-15H2,1H3

InChI Key

PNBMOJTYKBKKSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

5.128

Water Solubility, LogSw

-4.72

Polar Surface Area

60.235

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

3404-5357 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3404-5357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3404-5357?
Check Price and Availability of 3404-5357, 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 3404-5357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3404-5357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3404-5357
  • 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 3404-5357 available by request