D074-0461 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0461 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0461 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0461
5-butyl-3-(2-hydroxyphenyl)-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

D074-0461

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c1ccccc1)C2=O

InChI

InChI=1S/C21H21N3O2/c1-2-3-13-24-20(14-9-5-4-6-10-14)17-18(22-23-19(17)21(24)26)15-11-7-8-12-16(15)25/h4-12,20,25H,2-3,13H2,1H3,(H,22,23)/t20-/m0/s1

InChI Key

FBFBQHZGCORLBG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06647365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.865

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-3.97

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

23.80

D074-0461 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D074-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0461?
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What is the minimum amount of D074-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0461
  • 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 D074-0461 available by request