D074-0471 Screening compound: 5-butyl-4-(4-tert-butylphenyl)-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0471 Screening compound: 5-butyl-4-(4-tert-butylphenyl)-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0471 Screening compound: 5-butyl-4-(4-tert-butylphenyl)-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0471
5-butyl-4-(4-tert-butylphenyl)-3-(2-hydroxyphenyl)-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

D074-0471

Molecular Formula

C25H29N3O2 (C25 H29 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c1ccc(C(C)(C)C)cc1)C2=O

InChI

InChI=1S/C25H29N3O2/c1-5-6-15-28-23(16-11-13-17(14-12-16)25(2,3)4)20-21(26-27-22(20)24(28)30)18-9-7-8-10-19(18)29/h7-14,23,29H,5-6,15H2,1-4H3,(H,26,27)/t23-/m0/s1

InChI Key

ORKYWVXYPKQRAD-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06647476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.655

Distribution Coefficient, logD

6.644

Water Solubility, LogSw

-5.48

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

36.00

D074-0471 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D074-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0471?
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What is the minimum amount of D074-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0471
  • 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 D074-0471 available by request