D158-0314 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-4-(3-methoxyphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0314 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-4-(3-methoxyphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0314 Screening compound: 3-(2-hydroxy-4,6-dimethylphenyl)-4-(3-methoxyphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0314
3-(2-hydroxy-4,6-dimethylphenyl)-4-(3-methoxyphenyl)-5-(prop-2-en-1-yl)-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

D158-0314

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

3-(2-hydroxy-4,6-dimethylphenyl)-4-(3-methoxyphenyl)-5-(prop-2-en-1-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxy-46-dimethylphenyl)-4-(3-methoxyphenyl)-5-(prop-2-en-1-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc1cc(O)c(-c2n[nH]c3c2C(c2cc(OC)ccc2)N(CC=C)C3=O)c(C)c1

InChI

InChI=1S/C23H23N3O3/c1-5-9-26-22(15-7-6-8-16(12-15)29-4)19-20(24-25-21(19)23(26)28)18-14(3)10-13(2)11-17(18)27/h5-8,10-12,22,27H,1,9H2,2-4H3,(H,24,25)/t22-/m0/s1

InChI Key

SSDUSCTVZACFPK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06648089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.694

Distribution Coefficient, logD

4.689

Water Solubility, LogSw

-4.26

Polar Surface Area

64.480

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

D158-0314 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D158-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0314?
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What is the minimum amount of D158-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0314
  • 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 D158-0314 available by request