D158-0495 Screening compound: 5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0495 Screening compound: 5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0495 Screening compound: 5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0495
5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-(4-methoxyphenyl)-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

D158-0495

Molecular Formula

C25H23N3O4 (C25 H23 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(O)c(-c2n[nH]c3c2C(c(cc2)ccc2OC)N(Cc2ccco2)C3=O)c(C)c1

InChI

InChI=1S/C25H23N3O4/c1-14-11-15(2)20(19(29)12-14)22-21-23(27-26-22)25(30)28(13-18-5-4-10-32-18)24(21)16-6-8-17(31-3)9-7-16/h4-12,24,29H,13H2,1-3H3,(H,26,27)/t24-/m0/s1

InChI Key

DPXOUDJQNZBQJH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD07467328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.024

Distribution Coefficient, logD

5.020

Water Solubility, LogSw

-4.43

Polar Surface Area

71.979

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D158-0495 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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:
  • Cancer

References: we are preparing a list of scientific research reports with D158-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0495?
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What is the minimum amount of D158-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0495
  • 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 D158-0495 available by request