D158-0294 Screening compound: 5-butyl-3-(2-hydroxy-4,6-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D158-0294 Screening compound: 5-butyl-3-(2-hydroxy-4,6-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D158-0294 Screening compound: 5-butyl-3-(2-hydroxy-4,6-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D158-0294
5-butyl-3-(2-hydroxy-4,6-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-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

D158-0294

Molecular Formula

C26H31N3O5 (C26 H31 N3 O5)

Compound Name

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

IUPAC name

5-butyl-3-(2-hydroxy-46-dimethylphenyl)-4-(345-trimethoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCCN(C(c1c2[nH]nc1-c(c(C)cc(C)c1)c1O)c(cc1OC)cc(OC)c1OC)C2=O

InChI

InChI=1S/C26H31N3O5/c1-7-8-9-29-24(16-12-18(32-4)25(34-6)19(13-16)33-5)21-22(27-28-23(21)26(29)31)20-15(3)10-14(2)11-17(20)30/h10-13,24,30H,7-9H2,1-6H3,(H,27,28)/t24-/m0/s1

InChI Key

LNONJHLNPODWLM-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06648070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.072

Distribution Coefficient, logD

5.067

Water Solubility, LogSw

-4.35

Polar Surface Area

79.914

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with D158-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D158-0294?
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What is the minimum amount of D158-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D158-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D158-0294
  • 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 D158-0294 available by request