D074-0497 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-[3-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0497 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-[3-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0497 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-[3-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0497
5-butyl-3-(2-hydroxyphenyl)-4-[3-(pentyloxy)phenyl]-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

D074-0497

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

5-butyl-3-(2-hydroxyphenyl)-4-[3-(pentyloxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-butyl-3-(2-hydroxyphenyl)-4-[3-(pentyloxy)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCCCOc1cccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CCCC)C3=O)c1

InChI

InChI=1S/C26H31N3O3/c1-3-5-9-16-32-19-12-10-11-18(17-19)25-22-23(20-13-7-8-14-21(20)30)27-28-24(22)26(31)29(25)15-6-4-2/h7-8,10-14,17,25,30H,3-6,9,15-16H2,1-2H3,(H,27,28)/t25-/m0/s1

InChI Key

OQNZMBUWYSZQCM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06647479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.882

Distribution Coefficient, logD

6.871

Water Solubility, LogSw

-5.37

Polar Surface Area

64.354

Acid Dissociation Constant (pKa)

8.97

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 D074-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0497?
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What is the minimum amount of D074-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0497
  • 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 D074-0497 available by request