D158-0415 Screening compound: 4-(4-butoxy-3-methoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0415 Screening compound: 4-(4-butoxy-3-methoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0415 Screening compound: 4-(4-butoxy-3-methoxyphenyl)-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 D158-0415
4-(4-butoxy-3-methoxyphenyl)-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

D158-0415

Molecular Formula

C26H31N3O5 (C26 H31 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(ccc(C(c1c2[nH]nc1-c(c(C)cc(C)c1)c1O)N(CCO)C2=O)c1)c1OC

InChI

InChI=1S/C26H31N3O5/c1-5-6-11-34-19-8-7-17(14-20(19)33-4)25-22-23(21-16(3)12-15(2)13-18(21)31)27-28-24(22)26(32)29(25)9-10-30/h7-8,12-14,25,30-31H,5-6,9-11H2,1-4H3,(H,27,28)/t25-/m0/s1

InChI Key

YTYVDAGQBMQHRF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06648662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.635

Water Solubility, LogSw

-4.22

Polar Surface Area

88.727

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D158-0415 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D158-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0415?
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What is the minimum amount of D158-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0415
  • 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 D158-0415 available by request