D159-0254 Screening compound: 1-(3-ethoxy-4-hydroxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D159-0254 Screening compound: 1-(3-ethoxy-4-hydroxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D159-0254 Screening compound: 1-(3-ethoxy-4-hydroxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D159-0254
1-(3-ethoxy-4-hydroxyphenyl)-2-(3-hydroxypropyl)-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

D159-0254

Molecular Formula

C24H25NO6 (C24 H25 NO6)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C(C1=C2Oc(cc(C)cc3C)c3C1=O)N(CCCO)C2=O)cc1)c1O

InChI

InChI=1S/C24H25NO6/c1-4-30-17-12-15(6-7-16(17)27)21-20-22(28)19-14(3)10-13(2)11-18(19)31-23(20)24(29)25(21)8-5-9-26/h6-7,10-12,21,26-27H,4-5,8-9H2,1-3H3/t21-/m1/s1

InChI Key

VYGWVLJZCJPEQG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06648660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.204

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.04

Polar Surface Area

77.397

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D159-0254 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Proteases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D159-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D159-0254?
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What is the minimum amount of D159-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D159-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D159-0254
  • 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 D159-0254 available by request