G411-0231 Screening compound: methyl 2-{[4-(benzylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}acetate

G411-0231 Screening compound: methyl 2-{[4-(benzylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}acetate
G411-0231 Screening compound: methyl 2-{[4-(benzylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G411-0231
methyl 2-{[4-(benzylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}acetate

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

G411-0231

Molecular Formula

C20H18N2O5 (C20 H18 N2 O5)

Compound Name

methyl 2-{[4-(benzylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}acetate

IUPAC name

methyl 2-{[4-(benzylamino)-2-oxo-2H-chromen-3-yl]carbamoyl}acetate

SMILES

COC(CC(NC(C(Oc1c2cccc1)=O)=C2NCc1ccccc1)=O)=O

InChI

InChI=1S/C20H18N2O5/c1-26-17(24)11-16(23)22-19-18(21-12-13-7-3-2-4-8-13)14-9-5-6-10-15(14)27-20(19)25/h2-10,21H,11-12H2,1H3,(H,22,23)

InChI Key

ZUTMEOOUBKMRDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.408

Distribution Coefficient, logD

0.591

Water Solubility, LogSw

-2.06

Polar Surface Area

75.521

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G411-0231 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G411-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G411-0231?
Check Price and Availability of G411-0231, 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 G411-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G411-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G411-0231
  • 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 G411-0231 available by request