D417-0205 Screening compound: 7-fluoro-1-(3-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D417-0205 Screening compound: 7-fluoro-1-(3-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D417-0205 Screening compound: 7-fluoro-1-(3-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D417-0205
7-fluoro-1-(3-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

D417-0205

Molecular Formula

C24H23FN2O5 (C24 H23 FN2 O5)

Compound Name

7-fluoro-1-(3-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

7-fluoro-1-(3-hydroxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Oc1cccc(C(C2=C3Oc(ccc(F)c4)c4C2=O)N(CCCN2CCOCC2)C3=O)c1

InChI

InChI=1S/C24H23FN2O5/c25-16-5-6-19-18(14-16)22(29)20-21(15-3-1-4-17(28)13-15)27(24(30)23(20)32-19)8-2-7-26-9-11-31-12-10-26/h1,3-6,13-14,21,28H,2,7-12H2/t21-/m1/s1

InChI Key

AXKVJTFILDQATN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06643195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.446

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-2.81

Polar Surface Area

66.219

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D417-0205 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS Targets (44014 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D417-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D417-0205?
Check Price and Availability of D417-0205, 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 D417-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D417-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D417-0205
  • 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 D417-0205 available by request