C301-6082 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbenzamide

C301-6082 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbenzamide
C301-6082 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6082
N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbenzamide

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

C301-6082

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3-methylbenzamide

IUPAC name

N-[13-dimethyl-6-(morpholin-4-yl)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(c(N2CCOCC2)c2)cc(N3C)c2N(C)C3=O)=O)c1

InChI

InChI=1S/C21H24N4O3/c1-14-5-4-6-15(11-14)20(26)22-16-12-18-19(24(3)21(27)23(18)2)13-17(16)25-7-9-28-10-8-25/h4-6,11-13H,7-10H2,1-3H3,(H,22,26)

InChI Key

BNVFMYIUKBTDHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-3.27

Polar Surface Area

51.377

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-6082 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

PI3K-Targeted Library (17255 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-6082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6082?
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What is the minimum amount of C301-6082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6082
  • 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 C301-6082 available by request