D074-0022 Screening compound: 4-[4-(benzyloxy)phenyl]-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

Chemical Structure Depiction of ChemDiv screening compound D074-0022
4-[4-(benzyloxy)phenyl]-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D074-0022

Molecular Formula

C₂₉H₂₇N₃O₄ (C29 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Oc(cccc1)c1-c1n[nH]c2c1C(c(cc1)ccc1OCc1ccccc1)N(CC1OCCC1)C2=O

InChI

InChI=1S/C29H27N3O4/c33-24-11-5-4-10-23(24)26-25-27(31-30-26)29(34)32(17-22-9-6-16-35-22)28(25)20-12-14-21(15-13-20)36-18-19-7-2-1-3-8-19/h1-5,7-8,10-15,22,28,33H,6,9,16-18H2,(H,30,31)

InChI Key

VQRYIQJXEGVELH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.151

Water Solubility, LogSw

-4.87

Polar Surface Area

72.569

Acid Dissociation Constant (pK_a)

8.97

Base Dissociation Constant (pK_b)

-3.66

Number of Chiral Centers

2.00

Percent sp³ carbon bonding

24.10

D074-0022 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Nucleoside Mimetics Library (2197 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Antiviral
Infections
Immune system
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Antiviral
Infections
Cancer
Immune system
Cancer
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Targets:

GPCR
GPCR
Phosphatases

Mechanism of action:

Receptor's ligands
PPI modulators
Receptor's ligands

Structure:

Mimetics
Mimetics

References: we are preparing a list of scientific research reports with D074-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0022?
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What is the minimum amount of D074-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for D074-0022
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for D074-0022

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 D074-0022 available by request