3170-5266 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(2-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

3170-5266 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(2-ethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3170-5266 Screening compound: 3-(3,4-dimethoxyphenyl)-11-(2-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 3170-5266
3-(3,4-dimethoxyphenyl)-11-(2-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

3170-5266

Molecular Formula

C29H30N2O4 (C29 H30 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc1c(C2Nc(cccc3)c3NC(CC(C3)c(cc4)cc(OC)c4OC)=C2C3=O)cccc1

InChI

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

InChI Key

RZHOZPSUSUTPRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874786

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

5.414

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-5.39

Polar Surface Area

58.948

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.60

3170-5266 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 3170-5266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3170-5266?
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What is the minimum amount of 3170-5266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3170-5266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3170-5266
  • 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 3170-5266 available by request