D159-0553 Screening compound: 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D159-0553 Screening compound: 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D159-0553 Screening compound: 2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D159-0553
2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-6,8-dimethyl-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

D159-0553

Molecular Formula

C26H20FNO4 (C26 H20 FNO4)

Compound Name

2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-68-dimethyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(cc1C)cc(OC2=C3C(c4cc(O)ccc4)N(Cc(cc4)ccc4F)C2=O)c1C3=O

InChI

InChI=1S/C26H20FNO4/c1-14-10-15(2)21-20(11-14)32-25-22(24(21)30)23(17-4-3-5-19(29)12-17)28(26(25)31)13-16-6-8-18(27)9-7-16/h3-12,23,29H,13H2,1-2H3/t23-/m1/s1

InChI Key

RCQYSSNKIUOLIK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06648075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.947

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.51

Polar Surface Area

54.350

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-7.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

D159-0553 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Human GPCR Annotated Library (5539 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
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 D159-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D159-0553?
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What is the minimum amount of D159-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D159-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D159-0553
  • 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 D159-0553 available by request