C301-7170 Screening compound: 3-chloro-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

C301-7170 Screening compound: 3-chloro-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide
C301-7170 Screening compound: 3-chloro-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7170
3-chloro-N-[1,3-diethyl-2-oxo-6-(pyrrolidin-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

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

C301-7170

Molecular Formula

C22H25ClN4O2 (C22 H25 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(c(N1CC)c2)cc(NC(c3cccc(Cl)c3)=O)c2N2CCCC2)C1=O

InChI

InChI=1S/C22H25ClN4O2/c1-3-26-19-13-17(24-21(28)15-8-7-9-16(23)12-15)18(25-10-5-6-11-25)14-20(19)27(4-2)22(26)29/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,24,28)

InChI Key

QIJPBFDCOXQPBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.213

Distribution Coefficient, logD

4.150

Water Solubility, LogSw

-5.64

Polar Surface Area

43.752

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C301-7170 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C301-7170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7170?
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What is the minimum amount of C301-7170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7170
  • 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 C301-7170 available by request