7840-4731 Screening compound: N-{3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-methoxyphenyl}furan-2-carboxamide

7840-4731 Screening compound: N-{3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-methoxyphenyl}furan-2-carboxamide
7840-4731 Screening compound: N-{3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-methoxyphenyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7840-4731
N-{3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-methoxyphenyl}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

7840-4731

Molecular Formula

C22H21ClN2O5 (C22 H21 ClN2 O5)

Compound Name

N-{3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-methoxyphenyl}furan-2-carboxamide

IUPAC name

N-{3-[2-(4-chlorophenoxy)-2-methylpropanamido]-4-methoxyphenyl}furan-2-carboxamide

SMILES

CC(C)(C(Nc(cc(cc1)NC(c2ccco2)=O)c1OC)=O)Oc(cc1)ccc1Cl

InChI

InChI=1S/C22H21ClN2O5/c1-22(2,30-16-9-6-14(23)7-10-16)21(27)25-17-13-15(8-11-18(17)28-3)24-20(26)19-5-4-12-29-19/h4-13H,1-3H3,(H,24,26)(H,25,27)

InChI Key

UFXQDGLLCJCKHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05851915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.87

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

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.66

Polar Surface Area

68.151

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

7840-4731 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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 7840-4731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7840-4731?
Check Price and Availability of 7840-4731, 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 7840-4731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7840-4731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7840-4731
  • 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 7840-4731 available by request