D158-0891 Screening compound: 5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0891 Screening compound: 5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0891 Screening compound: 5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0891
5-[(furan-2-yl)methyl]-3-(2-hydroxy-4,6-dimethylphenyl)-4-[4-(methylsulfanyl)phenyl]-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

D158-0891

Molecular Formula

C25H23N3O3S (C25 H23 N3 O3 S)

Compound Name

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

SMILES

Cc1cc(O)c(-c2n[nH]c3c2C(c(cc2)ccc2SC)N(Cc2ccco2)C3=O)c(C)c1

InChI

InChI=1S/C25H23N3O3S/c1-14-11-15(2)20(19(29)12-14)22-21-23(27-26-22)25(30)28(13-17-5-4-10-31-17)24(21)16-6-8-18(32-3)9-7-16/h4-12,24,29H,13H2,1-3H3,(H,26,27)/t24-/m1/s1

InChI Key

RREIEDNXHNCUOK-XMMPIXPASA-N

MDL Number (MFCD)

MFCD07467709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.761

Distribution Coefficient, logD

5.757

Water Solubility, LogSw

-5.25

Polar Surface Area

64.435

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

D158-0891 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D158-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0891?
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What is the minimum amount of D158-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0891
  • 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 D158-0891 available by request