C301-6879 Screening compound: N-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-triethoxybenzamide

C301-6879 Screening compound: N-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-triethoxybenzamide
C301-6879 Screening compound: N-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6879
N-[1,3-dimethyl-2-oxo-6-(pyrrolidin-1-yl)-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

C301-6879

Molecular Formula

C26H34N4O5 (C26 H34 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C(Nc(c(N2CCCC2)c2)cc(N3C)c2N(C)C3=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C26H34N4O5/c1-6-33-22-13-17(14-23(34-7-2)24(22)35-8-3)25(31)27-18-15-20-21(29(5)26(32)28(20)4)16-19(18)30-11-9-10-12-30/h13-16H,6-12H2,1-5H3,(H,27,31)

InChI Key

COZDCKXNASRMOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

4.245

Water Solubility, LogSw

-4.16

Polar Surface Area

65.551

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C301-6879 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 C301-6879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6879?
Check Price and Availability of C301-6879, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-6879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6879
  • 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 C301-6879 available by request