3647-2771 Screening compound: N-[(furan-2-yl)methyl]-2-[(phenylcarbamoyl)amino]benzamide

3647-2771 Screening compound: N-[(furan-2-yl)methyl]-2-[(phenylcarbamoyl)amino]benzamide
3647-2771 Screening compound: N-[(furan-2-yl)methyl]-2-[(phenylcarbamoyl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3647-2771
N-[(furan-2-yl)methyl]-2-[(phenylcarbamoyl)amino]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

3647-2771

Molecular Formula

C19H17N3O3 (C19 H17 N3 O3)

Compound Name

N-[(furan-2-yl)methyl]-2-[(phenylcarbamoyl)amino]benzamide

IUPAC name

N-[(furan-2-yl)methyl]-2-[(phenylcarbamoyl)amino]benzamide

SMILES

O=C(c(cccc1)c1NC(Nc1ccccc1)=O)NCc1ccco1

InChI

InChI=1S/C19H17N3O3/c23-18(20-13-15-9-6-12-25-15)16-10-4-5-11-17(16)22-19(24)21-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,23)(H2,21,22,24)

InChI Key

VQSWUFPVFLZOBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01952273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-4.20

Polar Surface Area

64.006

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

3647-2771 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 3647-2771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-2771?
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What is the minimum amount of 3647-2771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-2771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-2771
  • 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 3647-2771 available by request