3490-5566 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(4-isopropylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3490-5566 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(4-isopropylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3490-5566 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(4-isopropylphenyl)-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 3490-5566
3-(3,4-dimethoxyphenyl)-11-(4-isopropylphenyl)-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

3490-5566

Molecular Formula

C30H32N2O3 (C30 H32 N2 O3)

Compound Name

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

IUPAC name

14-(34-dimethoxyphenyl)-10-[4-(propan-2-yl)phenyl]-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC(C)c1ccc(C2Nc(cccc3)c3NC(CC(C3)c(cc4)cc(OC)c4OC)=C2C3=O)cc1

InChI

InChI=1S/C30H32N2O3/c1-18(2)19-9-11-20(12-10-19)30-29-25(31-23-7-5-6-8-24(23)32-30)15-22(16-26(29)33)21-13-14-27(34-3)28(17-21)35-4/h5-14,17-18,22,30-32H,15-16H2,1-4H3

InChI Key

SCOMXXQNQUNAMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02104327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.6

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

6.112

Distribution Coefficient, logD

6.095

Water Solubility, LogSw

-5.52

Polar Surface Area

51.737

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

3490-5566 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 3490-5566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3490-5566?
Check Price and Availability of 3490-5566, 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 3490-5566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3490-5566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3490-5566
  • 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 3490-5566 available by request