C301-7847 Screening compound: 5-chloro-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methoxybenzamide

C301-7847 Screening compound: 5-chloro-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methoxybenzamide
C301-7847 Screening compound: 5-chloro-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7847
5-chloro-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methoxybenzamide

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

C301-7847

Molecular Formula

C23H27ClN4O3 (C23 H27 ClN4 O3)

Compound Name

5-chloro-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-2-methoxybenzamide

IUPAC name

5-chloro-N-[13-diethyl-2-oxo-6-(pyrrolidin-1-yl)-23-dihydro-1H-13-benzodiazol-5-yl]-2-methoxybenzamide

SMILES

CCN(c(c(N1CC)c2)cc(NC(c(cc(cc3)Cl)c3OC)=O)c2N2CCCC2)C1=O

InChI

InChI=1S/C23H27ClN4O3/c1-4-27-19-13-17(25-22(29)16-12-15(24)8-9-21(16)31-3)18(26-10-6-7-11-26)14-20(19)28(5-2)23(27)30/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,25,29)

InChI Key

NQACYTZRQYJHLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.213

Distribution Coefficient, logD

2.906

Water Solubility, LogSw

-5.51

Polar Surface Area

51.382

Acid Dissociation Constant (pKa)

5.09

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C301-7847 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-7847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7847?
Check Price and Availability of C301-7847, 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 C301-7847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7847
  • 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 C301-7847 available by request