D159-0541 Screening compound: 2-(2-hydroxyethyl)-1-(3-hydroxyphenyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D159-0541 Screening compound: 2-(2-hydroxyethyl)-1-(3-hydroxyphenyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D159-0541 Screening compound: 2-(2-hydroxyethyl)-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 D159-0541
2-(2-hydroxyethyl)-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

D159-0541

Molecular Formula

C21H19NO5 (C21 H19 NO5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H19NO5/c1-11-8-12(2)16-15(9-11)27-20-17(19(16)25)18(22(6-7-23)21(20)26)13-4-3-5-14(24)10-13/h3-5,8-10,18,23-24H,6-7H2,1-2H3/t18-/m1/s1

InChI Key

WRWQBIMMKQSHDH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06591687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.914

Water Solubility, LogSw

-2.66

Polar Surface Area

71.256

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

D159-0541 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Human Transcription Factors Annotated Library (5098 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:
  • 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 D159-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D159-0541?
Check Price and Availability of D159-0541, 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 D159-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D159-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D159-0541
  • 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 D159-0541 available by request