3046-8901 Screening compound: 11-(3,4-dimethoxyphenyl)-3-(2-furyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3046-8901 Screening compound: 11-(3,4-dimethoxyphenyl)-3-(2-furyl)-10-(2,2,2-trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3046-8901 Screening compound: 11-(3,4-dimethoxyphenyl)-3-(2-furyl)-10-(2,2,2-trifluoroacetyl)-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 3046-8901
11-(3,4-dimethoxyphenyl)-3-(2-furyl)-10-(2,2,2-trifluoroacetyl)-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

3046-8901

Molecular Formula

C27H23F3N2O5 (C27 H23 F3 N2 O5)

Compound Name

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

IUPAC name

10-(34-dimethoxyphenyl)-14-(furan-2-yl)-9-(222-trifluoroacetyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-12-one

SMILES

COc(ccc(C1N(C(C(F)(F)F)=O)c(cccc2)c2NC(CC(C2)c3ccco3)=C1C2=O)c1)c1OC

InChI

InChI=1S/C27H23F3N2O5/c1-35-22-10-9-15(14-23(22)36-2)25-24-18(12-16(13-20(24)33)21-8-5-11-37-21)31-17-6-3-4-7-19(17)32(25)26(34)27(28,29)30/h3-11,14,16,25,31H,12-13H2,1-2H3

InChI Key

AKWOXFZBZVQYNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01943675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.507

Water Solubility, LogSw

-4.52

Polar Surface Area

63.004

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 3046-8901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3046-8901?
Check Price and Availability of 3046-8901, 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 3046-8901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3046-8901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3046-8901
  • 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 3046-8901 available by request