D159-0555 Screening compound: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

D159-0555 Screening compound: 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-6,8-dimethyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
D159-0555 Screening compound: 2-[2-(3,4-dimethoxyphenyl)ethyl]-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 D159-0555
2-[2-(3,4-dimethoxyphenyl)ethyl]-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

D159-0555

Molecular Formula

C29H27NO6 (C29 H27 NO6)

Compound Name

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

IUPAC name

2-[2-(34-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-68-dimethyl-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

Cc(cc1C)cc(OC2=C3C(c4cc(O)ccc4)N(CCc(cc4)cc(OC)c4OC)C2=O)c1C3=O

InChI

InChI=1S/C29H27NO6/c1-16-12-17(2)24-23(13-16)36-28-25(27(24)32)26(19-6-5-7-20(31)15-19)30(29(28)33)11-10-18-8-9-21(34-3)22(14-18)35-4/h5-9,12-15,26,31H,10-11H2,1-4H3/t26-/m1/s1

InChI Key

BCPZSUQLXGKERB-AREMUKBSSA-N

MDL Number (MFCD)

MFCD06648210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.904

Distribution Coefficient, logD

4.891

Water Solubility, LogSw

-4.44

Polar Surface Area

69.589

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

D159-0555 in Drug Discovery

Included in Screening Libraries

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

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 D159-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D159-0555?
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What is the minimum amount of D159-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D159-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D159-0555
  • 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 D159-0555 available by request