8018-9859 Screening compound: 5-benzoyl-1-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

8018-9859 Screening compound: 5-benzoyl-1-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
8018-9859 Screening compound: 5-benzoyl-1-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9859
5-benzoyl-1-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-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

8018-9859

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

5-benzoyl-1-(2-methoxyethyl)-3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

IUPAC name

5-benzoyl-1-(2-methoxyethyl)-3-methyl-2345-tetrahydro-1H-15-benzodiazepin-2-one

SMILES

CC(CN(C(c1ccccc1)=O)c(cccc1)c1N1CCOC)C1=O

InChI

InChI=1S/C20H22N2O3/c1-15-14-22(20(24)16-8-4-3-5-9-16)18-11-7-6-10-17(18)21(19(15)23)12-13-25-2/h3-11,15H,12-14H2,1-2H3/t15-/m0/s1

InChI Key

GJJVXPHTWOHJQB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08834712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.418

Distribution Coefficient, logD

2.418

Water Solubility, LogSw

-2.48

Polar Surface Area

39.590

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8018-9859 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Antiparasite Library (23996 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-9859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9859?
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What is the minimum amount of 8018-9859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9859
  • 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 8018-9859 available by request