D158-0297 Screening compound: 5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0297 Screening compound: 5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0297 Screening compound: 5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0297
5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

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

D158-0297

Molecular Formula

C27H27N3O6 (C27 H27 N3 O6)

Compound Name

5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-[(furan-2-yl)methyl]-3-(2-hydroxy-46-dimethylphenyl)-4-(345-trimethoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc1cc(O)c(-c2n[nH]c3c2C(c(cc2OC)cc(OC)c2OC)N(Cc2ccco2)C3=O)c(C)c1

InChI

InChI=1S/C27H27N3O6/c1-14-9-15(2)21(18(31)10-14)23-22-24(29-28-23)27(32)30(13-17-7-6-8-36-17)25(22)16-11-19(33-3)26(35-5)20(12-16)34-4/h6-12,25,31H,13H2,1-5H3,(H,28,29)/t25-/m0/s1

InChI Key

SGCUPXMJSLDCTI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD07467144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.768

Water Solubility, LogSw

-4.31

Polar Surface Area

87.413

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D158-0297 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D158-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0297?
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What is the minimum amount of D158-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0297
  • 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 D158-0297 available by request