3393-0047 Screening compound: 11-(2-furyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3393-0047 Screening compound: 11-(2-furyl)-3-(3-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3393-0047 Screening compound: 11-(2-furyl)-3-(3-nitrophenyl)-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 3393-0047
11-(2-furyl)-3-(3-nitrophenyl)-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

3393-0047

Molecular Formula

C23H19N3O4 (C23 H19 N3 O4)

Compound Name

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

IUPAC name

10-(furan-2-yl)-14-(3-nitrophenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

[O-][N+](c1cc(C(C2)CC(Nc(cccc3)c3NC3c4ccco4)=C3C2=O)ccc1)=O

InChI

InChI=1S/C23H19N3O4/c27-20-13-15(14-5-3-6-16(11-14)26(28)29)12-19-22(20)23(21-9-4-10-30-21)25-18-8-2-1-7-17(18)24-19/h1-11,15,23-25H,12-13H2

InChI Key

OVHOKPCVQMYTMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.256

Water Solubility, LogSw

-4.47

Polar Surface Area

78.437

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

3393-0047 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 3393-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3393-0047?
Check Price and Availability of 3393-0047, 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 3393-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3393-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3393-0047
  • 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 3393-0047 available by request