D074-0018 Screening compound: 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0018 Screening compound: 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0018 Screening compound: 3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-5-[(oxolan-2-yl)methyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0018
3-(2-hydroxyphenyl)-4-(3-methoxyphenyl)-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D074-0018

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CC2OCCC2)C3=O)c1

InChI

InChI=1S/C23H23N3O4/c1-29-15-7-4-6-14(12-15)22-19-20(17-9-2-3-10-18(17)27)24-25-21(19)23(28)26(22)13-16-8-5-11-30-16/h2-4,6-7,9-10,12,16,22,27H,5,8,11,13H2,1H3,(H,24,25)

InChI Key

LVZUAPLWQJMFAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06607463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.769

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-3.33

Polar Surface Area

72.885

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

D074-0018 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D074-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0018?
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What is the minimum amount of D074-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0018
  • 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 D074-0018 available by request