6526-0349 Screening compound: 2-(4-phenoxybenzoyl)-1-benzofuran-3-amine

6526-0349 Screening compound: 2-(4-phenoxybenzoyl)-1-benzofuran-3-amine
6526-0349 Screening compound: 2-(4-phenoxybenzoyl)-1-benzofuran-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6526-0349
2-(4-phenoxybenzoyl)-1-benzofuran-3-amine

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

6526-0349

Molecular Formula

C21H15NO3 (C21 H15 NO3)

Compound Name

2-(4-phenoxybenzoyl)-1-benzofuran-3-amine

IUPAC name

2-(4-phenoxybenzoyl)-1-benzofuran-3-amine

SMILES

Nc1c(C(c(cc2)ccc2Oc2ccccc2)=O)oc2c1cccc2

InChI

InChI=1S/C21H15NO3/c22-19-17-8-4-5-9-18(17)25-21(19)20(23)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-13H,22H2

InChI Key

DXTXQFMRERBLKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01235240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.342

Distribution Coefficient, logD

5.342

Water Solubility, LogSw

-6.03

Polar Surface Area

48.365

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6526-0349 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 6526-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6526-0349?
Check Price and Availability of 6526-0349, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6526-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6526-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6526-0349
  • 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 6526-0349 available by request