3170-5247 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(3-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3170-5247 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(3-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3170-5247 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(3-ethoxyphenyl)-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 3170-5247
3-(3,4-dimethoxyphenyl)-11-(3-ethoxyphenyl)-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

3170-5247

Molecular Formula

C29H30N2O4 (C29 H30 N2 O4)

Compound Name

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

IUPAC name

14-(34-dimethoxyphenyl)-10-(3-ethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CCOc1cccc(C2Nc(cccc3)c3NC(CC(C3)c(cc4)cc(OC)c4OC)=C2C3=O)c1

InChI

InChI=1S/C29H30N2O4/c1-4-35-21-9-7-8-19(14-21)29-28-24(30-22-10-5-6-11-23(22)31-29)15-20(16-25(28)32)18-12-13-26(33-2)27(17-18)34-3/h5-14,17,20,29-31H,4,15-16H2,1-3H3

InChI Key

SCPMDXUGAGCOIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.263

Water Solubility, LogSw

-5.17

Polar Surface Area

58.861

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.60

3170-5247 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 3170-5247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3170-5247?
Check Price and Availability of 3170-5247, 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 3170-5247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3170-5247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3170-5247
  • 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 3170-5247 available by request