3777-0749 Screening compound: N-{4-[2-(4-chloro-3-methylphenoxy)acetamido]-2-methoxyphenyl}furan-2-carboxamide

3777-0749 Screening compound: N-{4-[2-(4-chloro-3-methylphenoxy)acetamido]-2-methoxyphenyl}furan-2-carboxamide
3777-0749 Screening compound: N-{4-[2-(4-chloro-3-methylphenoxy)acetamido]-2-methoxyphenyl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3777-0749
N-{4-[2-(4-chloro-3-methylphenoxy)acetamido]-2-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

3777-0749

Molecular Formula

C21H19ClN2O5 (C21 H19 ClN2 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)OCC(Nc(cc2)cc(OC)c2NC(c2ccco2)=O)=O)c1Cl

InChI

InChI=1S/C21H19ClN2O5/c1-13-10-15(6-7-16(13)22)29-12-20(25)23-14-5-8-17(19(11-14)27-2)24-21(26)18-4-3-9-28-18/h3-11H,12H2,1-2H3,(H,23,25)(H,24,26)

InChI Key

RLYOGOWRZKYRNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

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

4.497

Distribution Coefficient, logD

4.496

Water Solubility, LogSw

-4.50

Polar Surface Area

69.218

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3777-0749 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 3777-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3777-0749?
Check Price and Availability of 3777-0749, 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 3777-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3777-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3777-0749
  • 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 3777-0749 available by request