4137-1383 Screening compound: N-[3-(3,4,5-triethoxybenzamido)phenyl]furan-2-carboxamide

4137-1383 Screening compound: N-[3-(3,4,5-triethoxybenzamido)phenyl]furan-2-carboxamide
4137-1383 Screening compound: N-[3-(3,4,5-triethoxybenzamido)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4137-1383
N-[3-(3,4,5-triethoxybenzamido)phenyl]furan-2-carboxamide

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

4137-1383

Molecular Formula

C24H26N2O6 (C24 H26 N2 O6)

Compound Name

N-[3-(3,4,5-triethoxybenzamido)phenyl]furan-2-carboxamide

IUPAC name

N-[3-(345-triethoxybenzamido)phenyl]furan-2-carboxamide

SMILES

CCOc1cc(C(Nc2cc(NC(c3ccco3)=O)ccc2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C24H26N2O6/c1-4-29-20-13-16(14-21(30-5-2)22(20)31-6-3)23(27)25-17-9-7-10-18(15-17)26-24(28)19-11-8-12-32-19/h7-15H,4-6H2,1-3H3,(H,25,27)(H,26,28)

InChI Key

NCRJEADTEJUDPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01462405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-3.97

Polar Surface Area

76.717

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4137-1383 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4137-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4137-1383?
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What is the minimum amount of 4137-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4137-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4137-1383
  • 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 4137-1383 available by request