8018-8279 Screening compound: 3,3,11-trimethyl-10-(2-morpholino-2-oxoethyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

8018-8279 Screening compound: 3,3,11-trimethyl-10-(2-morpholino-2-oxoethyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
8018-8279 Screening compound: 3,3,11-trimethyl-10-(2-morpholino-2-oxoethyl)-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 8018-8279
3,3,11-trimethyl-10-(2-morpholino-2-oxoethyl)-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

8018-8279

Molecular Formula

C22H29N3O3 (C22 H29 N3 O3)

Compound Name

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

IUPAC name

101414-trimethyl-9-[2-(morpholin-4-yl)-2-oxoethyl]-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)357-tetraen-12-one

SMILES

CC1N(CC(N2CCOCC2)=O)c(cccc2)c2NC(CC(C)(C)C2)=C1C2=O

InChI

InChI=1S/C22H29N3O3/c1-15-21-17(12-22(2,3)13-19(21)26)23-16-6-4-5-7-18(16)25(15)14-20(27)24-8-10-28-11-9-24/h4-7,15,23H,8-14H2,1-3H3/t15-/m0/s1

InChI Key

AVSPNAHJBGEVHB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08548314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.139

Distribution Coefficient, logD

2.060

Water Solubility, LogSw

-2.77

Polar Surface Area

50.744

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

8018-8279 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-8279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8279?
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What is the minimum amount of 8018-8279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8279
  • 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 8018-8279 available by request