D126-0136 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0136 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0136 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D126-0136
4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-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

D126-0136

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(2-methoxyethyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCCOc1cccc(C(c2c3[nH]nc2-c(cc(C)cc2)c2O)N(CCOC)C3=O)c1

InChI

InChI=1S/C25H29N3O4/c1-4-5-12-32-18-8-6-7-17(15-18)24-21-22(19-14-16(2)9-10-20(19)29)26-27-23(21)25(30)28(24)11-13-31-3/h6-10,14-15,24,29H,4-5,11-13H2,1-3H3,(H,26,27)/t24-/m0/s1

InChI Key

AYKOCONLZNUJFU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD07425302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.446

Distribution Coefficient, logD

5.441

Water Solubility, LogSw

-5.04

Polar Surface Area

72.697

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D126-0136 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D126-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0136?
Check Price and Availability of D126-0136, 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 D126-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0136
  • 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 D126-0136 available by request