F210-0129 Screening compound: ethyl 4-{1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-2-amido}piperidine-1-carboxylate

F210-0129 Screening compound: ethyl 4-{1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-2-amido}piperidine-1-carboxylate
F210-0129 Screening compound: ethyl 4-{1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-2-amido}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F210-0129
ethyl 4-{1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-2-amido}piperidine-1-carboxylate

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

F210-0129

Molecular Formula

C21H23N3O5 (C21 H23 N3 O5)

Compound Name

ethyl 4-{1-methyl-4-oxo-1H,4H-chromeno[4,3-b]pyrrole-2-amido}piperidine-1-carboxylate

IUPAC name

ethyl 4-{1-methyl-4-oxo-1H4H-chromeno[43-b]pyrrole-2-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1cc(C(Oc2c-3cccc2)=O)c3n1C)=O)=O

InChI

InChI=1S/C21H23N3O5/c1-3-28-21(27)24-10-8-13(9-11-24)22-19(25)16-12-15-18(23(16)2)14-6-4-5-7-17(14)29-20(15)26/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)

InChI Key

WRFPZEDSQALBLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27108332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-3.04

Polar Surface Area

69.481

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F210-0129 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F210-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F210-0129?
Check Price and Availability of F210-0129, 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 F210-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F210-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F210-0129
  • 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 F210-0129 available by request