4031-2234 Screening compound: ethyl 4-({[2-(4-methoxyphenyl)ethyl]carbamoyl}formamido)benzoate

4031-2234 Screening compound: ethyl 4-({[2-(4-methoxyphenyl)ethyl]carbamoyl}formamido)benzoate
4031-2234 Screening compound: ethyl 4-({[2-(4-methoxyphenyl)ethyl]carbamoyl}formamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-2234
ethyl 4-({[2-(4-methoxyphenyl)ethyl]carbamoyl}formamido)benzoate

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

4031-2234

Molecular Formula

C20H22N2O5 (C20 H22 N2 O5)

Compound Name

ethyl 4-({[2-(4-methoxyphenyl)ethyl]carbamoyl}formamido)benzoate

IUPAC name

ethyl 4-({[2-(4-methoxyphenyl)ethyl]carbamoyl}formamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(NCCc(cc1)ccc1OC)=O)=O)=O

InChI

InChI=1S/C20H22N2O5/c1-3-27-20(25)15-6-8-16(9-7-15)22-19(24)18(23)21-13-12-14-4-10-17(26-2)11-5-14/h4-11H,3,12-13H2,1-2H3,(H,21,23)(H,22,24)

InChI Key

XRUQMWDWJSLPKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01805210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

1.616

Water Solubility, LogSw

-3.14

Polar Surface Area

76.153

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4031-2234 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4031-2234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-2234?
Check Price and Availability of 4031-2234, 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 4031-2234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-2234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-2234
  • 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 4031-2234 available by request