D417-0195 Screening compound: 1-(3,4-dimethoxyphenyl)-7-fluoro-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D417-0195 Screening compound: 1-(3,4-dimethoxyphenyl)-7-fluoro-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D417-0195 Screening compound: 1-(3,4-dimethoxyphenyl)-7-fluoro-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 D417-0195
1-(3,4-dimethoxyphenyl)-7-fluoro-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

D417-0195

Molecular Formula

C26H27FN2O6 (C26 H27 FN2 O6)

Compound Name

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

IUPAC name

1-(34-dimethoxyphenyl)-7-fluoro-2-[3-(morpholin-4-yl)propyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

COc(ccc(C(C1=C2Oc(ccc(F)c3)c3C1=O)N(CCCN1CCOCC1)C2=O)c1)c1OC

InChI

InChI=1S/C26H27FN2O6/c1-32-20-6-4-16(14-21(20)33-2)23-22-24(30)18-15-17(27)5-7-19(18)35-25(22)26(31)29(23)9-3-8-28-10-12-34-13-11-28/h4-7,14-15,23H,3,8-13H2,1-2H3/t23-/m1/s1

InChI Key

AXGQFUBFHBOERR-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05938032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

2.372

Water Solubility, LogSw

-2.91

Polar Surface Area

63.863

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D417-0195 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D417-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D417-0195?
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What is the minimum amount of D417-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D417-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D417-0195
  • 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 D417-0195 available by request