F210-0111 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-2-carboxamide

F210-0111 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-2-carboxamide
F210-0111 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F210-0111
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-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

F210-0111

Molecular Formula

C21H16N2O5 (C21 H16 N2 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-2-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-methyl-4-oxo-1H4H-chromeno[43-b]pyrrole-2-carboxamide

SMILES

Cn(c(C(NCc(cc1)cc2c1OCO2)=O)c1)c(-c(cccc2)c2O2)c1C2=O

InChI

InChI=1S/C21H16N2O5/c1-23-15(9-14-19(23)13-4-2-3-5-16(13)28-21(14)25)20(24)22-10-12-6-7-17-18(8-12)27-11-26-17/h2-9H,10-11H2,1H3,(H,22,24)

InChI Key

PTAAPQCIYLLRGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27108319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.56

Polar Surface Area

64.091

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F210-0111 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F210-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F210-0111?
Check Price and Availability of F210-0111, 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 F210-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F210-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F210-0111
  • 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 F210-0111 available by request