D074-0510 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0510 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0510 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0510
5-butyl-3-(2-hydroxyphenyl)-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

D074-0510

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

5-butyl-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-butyl-3-(2-hydroxyphenyl)-4-[4-(methylsulfanyl)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c(cc1)ccc1SC)C2=O

InChI

InChI=1S/C22H23N3O2S/c1-3-4-13-25-21(14-9-11-15(28-2)12-10-14)18-19(23-24-20(18)22(25)27)16-7-5-6-8-17(16)26/h5-12,21,26H,3-4,13H2,1-2H3,(H,23,24)/t21-/m1/s1

InChI Key

OAKSZCFFLZBAPI-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06647615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.580

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-5.14

Polar Surface Area

56.937

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D074-0510 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D074-0510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0510?
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What is the minimum amount of D074-0510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0510
  • 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 D074-0510 available by request