D074-0001 Screening compound: 3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0001 Screening compound: 3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0001 Screening compound: 3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0001
3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-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

D074-0001

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-phenyl-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Oc(cccc1)c1-c1n[nH]c2c1C(c1ccccc1)N(CC1OCCC1)C2=O

InChI

InChI=1S/C22H21N3O3/c26-17-11-5-4-10-16(17)19-18-20(24-23-19)22(27)25(13-15-9-6-12-28-15)21(18)14-7-2-1-3-8-14/h1-5,7-8,10-11,15,21,26H,6,9,12-13H2,(H,23,24)

InChI Key

FEBVRARWOYOJEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.753

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-3.15

Polar Surface Area

65.341

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

D074-0001 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D074-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0001?
Check Price and Availability of D074-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D074-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0001
  • 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 D074-0001 available by request