D158-0883 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0883 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0883 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0883
3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-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

D158-0883

Molecular Formula

C22H23N3O3S (C22 H23 N3 O3 S)

Compound Name

3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxy-46-dimethylphenyl)-5-(2-hydroxyethyl)-4-[4-(methylsulfanyl)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-12-10-13(2)17(16(27)11-12)19-18-20(24-23-19)22(28)25(8-9-26)21(18)14-4-6-15(29-3)7-5-14/h4-7,10-11,21,26-27H,8-9H2,1-3H3,(H,23,24)/t21-/m1/s1

InChI Key

FJNHYAATGHNCFU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06648252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-3.98

Polar Surface Area

73.592

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D158-0883 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D158-0883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0883?
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What is the minimum amount of D158-0883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0883
  • 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 D158-0883 available by request