C301-6718 Screening compound: ethyl 1-[6-(3,4-dimethoxybenzamido)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate

C301-6718 Screening compound: ethyl 1-[6-(3,4-dimethoxybenzamido)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate
C301-6718 Screening compound: ethyl 1-[6-(3,4-dimethoxybenzamido)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6718
ethyl 1-[6-(3,4-dimethoxybenzamido)-1,3-dimethyl-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

C301-6718

Molecular Formula

C26H32N4O6 (C26 H32 N4 O6)

Compound Name

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

IUPAC name

ethyl 1-[6-(34-dimethoxybenzamido)-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(c(NC(c(cc1)cc(OC)c1OC)=O)c1)cc(N2C)c1N(C)C2=O)=O

InChI

InChI=1S/C26H32N4O6/c1-6-36-25(32)16-9-11-30(12-10-16)19-15-21-20(28(2)26(33)29(21)3)14-18(19)27-24(31)17-7-8-22(34-4)23(13-17)35-5/h7-8,13-16H,6,9-12H2,1-5H3,(H,27,31)

InChI Key

WDEYICDCKCAAAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.62

Polar Surface Area

79.483

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C301-6718 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 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 C301-6718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6718?
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What is the minimum amount of C301-6718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6718
  • 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 C301-6718 available by request