D158-0595 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0595 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0595 Screening compound: 4-(3-butoxyphenyl)-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 D158-0595
4-(3-butoxyphenyl)-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

D158-0595

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1cccc(C(c2c3[nH]nc2-c(c(C)cc(C)c2)c2O)N(CCO)C3=O)c1

InChI

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

InChI Key

PPQBFNHJWGKCJC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06648698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-4.30

Polar Surface Area

81.010

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D158-0595 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 D158-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0595?
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What is the minimum amount of D158-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0595
  • 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 D158-0595 available by request