7682-0226 Screening compound: 3-(4-methoxyphenyl)-11-methyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

7682-0226 Screening compound: 3-(4-methoxyphenyl)-11-methyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
7682-0226 Screening compound: 3-(4-methoxyphenyl)-11-methyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7682-0226
3-(4-methoxyphenyl)-11-methyl-2,3,4,5-tetrahydro-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

7682-0226

Molecular Formula

C21H20N2O2 (C21 H20 N2 O2)

Compound Name

3-(4-methoxyphenyl)-11-methyl-2,3,4,5-tetrahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

14-(4-methoxyphenyl)-10-methyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)469-pentaen-12-one

SMILES

CC1=Nc(cccc2)c2NC(CC(C2)c(cc3)ccc3OC)=C1C2=O

InChI

InChI=1S/C21H20N2O2/c1-13-21-19(23-18-6-4-3-5-17(18)22-13)11-15(12-20(21)24)14-7-9-16(25-2)10-8-14/h3-10,15,23H,11-12H2,1-2H3/t15-/m0/s1

InChI Key

MKPKASXZXPKWDK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06192265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.257

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.30

Polar Surface Area

39.426

Acid Dissociation Constant (pKa)

7.91

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

7682-0226 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7682-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7682-0226?
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What is the minimum amount of 7682-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7682-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7682-0226
  • 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 7682-0226 available by request