D158-0271 Screening compound: 4-(4-ethylphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0271 Screening compound: 4-(4-ethylphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0271 Screening compound: 4-(4-ethylphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0271
4-(4-ethylphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-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

D158-0271

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

4-(4-ethylphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-ethylphenyl)-3-(2-hydroxy-46-dimethylphenyl)-5-(2-hydroxyethyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCc1ccc(C(c2c3[nH]nc2-c(c(C)cc(C)c2)c2O)N(CCO)C3=O)cc1

InChI

InChI=1S/C23H25N3O3/c1-4-15-5-7-16(8-6-15)22-19-20(18-14(3)11-13(2)12-17(18)28)24-25-21(19)23(29)26(22)9-10-27/h5-8,11-12,22,27-28H,4,9-10H2,1-3H3,(H,24,25)/t22-/m0/s1

InChI Key

AITAYIYRPLLUNK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06648697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

4.408

Water Solubility, LogSw

-3.99

Polar Surface Area

73.592

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D158-0271 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D158-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0271?
Check Price and Availability of D158-0271, 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 D158-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0271
  • 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 D158-0271 available by request