D417-0211 Screening compound: 7-fluoro-1-[4-(methylsulfanyl)phenyl]-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D417-0211 Screening compound: 7-fluoro-1-[4-(methylsulfanyl)phenyl]-2-[3-(morpholin-4-yl)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D417-0211 Screening compound: 7-fluoro-1-[4-(methylsulfanyl)phenyl]-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 D417-0211
7-fluoro-1-[4-(methylsulfanyl)phenyl]-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

D417-0211

Molecular Formula

C25H25FN2O4S (C25 H25 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(C(C2=C3Oc(ccc(F)c4)c4C2=O)N(CCCN2CCOCC2)C3=O)cc1

InChI

InChI=1S/C25H25FN2O4S/c1-33-18-6-3-16(4-7-18)22-21-23(29)19-15-17(26)5-8-20(19)32-24(21)25(30)28(22)10-2-9-27-11-13-31-14-12-27/h3-8,15,22H,2,9-14H2,1H3/t22-/m1/s1

InChI Key

DQBJMRKFJHUDIV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06645894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-3.92

Polar Surface Area

48.602

Acid Dissociation Constant (pKa)

17.72

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D417-0211 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 D417-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D417-0211?
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What is the minimum amount of D417-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D417-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D417-0211
  • 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 D417-0211 available by request