C301-8924 Screening compound: ethyl 1-[1,3-dimethyl-6-(3-methylbenzamido)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate

C301-8924 Screening compound: ethyl 1-[1,3-dimethyl-6-(3-methylbenzamido)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate
C301-8924 Screening compound: ethyl 1-[1,3-dimethyl-6-(3-methylbenzamido)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8924
ethyl 1-[1,3-dimethyl-6-(3-methylbenzamido)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate

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

C301-8924

Molecular Formula

C25H30N4O4 (C25 H30 N4 O4)

Compound Name

ethyl 1-[1,3-dimethyl-6-(3-methylbenzamido)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[13-dimethyl-6-(3-methylbenzamido)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(c(NC(c1cc(C)ccc1)=O)c1)cc(N2C)c1N(C)C2=O)=O

InChI

InChI=1S/C25H30N4O4/c1-5-33-24(31)17-9-11-29(12-10-17)20-15-22-21(27(3)25(32)28(22)4)14-19(20)26-23(30)18-8-6-7-16(2)13-18/h6-8,13-15,17H,5,9-12H2,1-4H3,(H,26,30)

InChI Key

FFFQDFMMJXAEPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.161

Distribution Coefficient, logD

3.413

Water Solubility, LogSw

-4.09

Polar Surface Area

64.222

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C301-8924 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-8924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8924?
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What is the minimum amount of C301-8924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8924
  • 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 C301-8924 available by request