4321-2556 Screening compound: N-{4-[2-(3-chloro-4-methylphenoxy)acetamido]-2-methoxyphenyl}-1-benzofuran-2-carboxamide

4321-2556 Screening compound: N-{4-[2-(3-chloro-4-methylphenoxy)acetamido]-2-methoxyphenyl}-1-benzofuran-2-carboxamide
4321-2556 Screening compound: N-{4-[2-(3-chloro-4-methylphenoxy)acetamido]-2-methoxyphenyl}-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4321-2556
N-{4-[2-(3-chloro-4-methylphenoxy)acetamido]-2-methoxyphenyl}-1-benzofuran-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

4321-2556

Molecular Formula

C25H21ClN2O5 (C25 H21 ClN2 O5)

Compound Name

N-{4-[2-(3-chloro-4-methylphenoxy)acetamido]-2-methoxyphenyl}-1-benzofuran-2-carboxamide

IUPAC name

N-{4-[2-(3-chloro-4-methylphenoxy)acetamido]-2-methoxyphenyl}-1-benzofuran-2-carboxamide

SMILES

Cc(ccc(OCC(Nc(cc1)cc(OC)c1NC(c1cc(cccc2)c2o1)=O)=O)c1)c1Cl

InChI

InChI=1S/C25H21ClN2O5/c1-15-7-9-18(13-19(15)26)32-14-24(29)27-17-8-10-20(22(12-17)31-2)28-25(30)23-11-16-5-3-4-6-21(16)33-23/h3-13H,14H2,1-2H3,(H,27,29)(H,28,30)

InChI Key

XWJXYEGDLQVFDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.151

Distribution Coefficient, logD

6.149

Water Solubility, LogSw

-6.34

Polar Surface Area

68.932

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

4321-2556 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4321-2556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4321-2556?
Check Price and Availability of 4321-2556, 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 4321-2556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4321-2556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4321-2556
  • 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 4321-2556 available by request