C301-6876 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-triethoxybenzamide

C301-6876 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-triethoxybenzamide
C301-6876 Screening compound: N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6876
N-[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-triethoxybenzamide

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

C301-6876

Molecular Formula

C26H34N4O6 (C26 H34 N4 O6)

Compound Name

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

IUPAC name

N-[13-dimethyl-6-(morpholin-4-yl)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(c(N2CCOCC2)c2)cc(N3C)c2N(C)C3=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C26H34N4O6/c1-6-34-22-13-17(14-23(35-7-2)24(22)36-8-3)25(31)27-18-15-20-21(29(5)26(32)28(20)4)16-19(18)30-9-11-33-12-10-30/h13-16H,6-12H2,1-5H3,(H,27,31)

InChI Key

ZEJHSJKYOJLHRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.458

Distribution Coefficient, logD

3.441

Water Solubility, LogSw

-3.76

Polar Surface Area

73.094

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C301-6876 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C301-6876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6876?
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What is the minimum amount of C301-6876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6876
  • 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 C301-6876 available by request