3616-1253 Screening compound: 5-(3-chloro-2-methylphenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide

3616-1253 Screening compound: 5-(3-chloro-2-methylphenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
3616-1253 Screening compound: 5-(3-chloro-2-methylphenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-1253
5-(3-chloro-2-methylphenyl)-N-(2,5-dimethoxyphenyl)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

3616-1253

Molecular Formula

C20H18ClNO4 (C20 H18 ClNO4)

Compound Name

5-(3-chloro-2-methylphenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide

IUPAC name

5-(3-chloro-2-methylphenyl)-N-(25-dimethoxyphenyl)furan-2-carboxamide

SMILES

Cc(c(-c1ccc(C(Nc(cc(cc2)OC)c2OC)=O)o1)ccc1)c1Cl

InChI

InChI=1S/C20H18ClNO4/c1-12-14(5-4-6-15(12)21)17-9-10-19(26-17)20(23)22-16-11-13(24-2)7-8-18(16)25-3/h4-11H,1-3H3,(H,22,23)

InChI Key

NCBVGKUCBRUCKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

5.112

Water Solubility, LogSw

-5.49

Polar Surface Area

46.205

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3616-1253 in Drug Discovery

Included in Screening Libraries

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3616-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-1253?
Check Price and Availability of 3616-1253, 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 3616-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-1253
  • 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 3616-1253 available by request