D074-0506 Screening compound: 5-butyl-4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0506 Screening compound: 5-butyl-4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0506 Screening compound: 5-butyl-4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0506
5-butyl-4-[4-(hexyloxy)phenyl]-3-(2-hydroxyphenyl)-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

D074-0506

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCOc1ccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CCCC)C3=O)cc1

InChI

InChI=1S/C27H33N3O3/c1-3-5-7-10-18-33-20-15-13-19(14-16-20)26-23-24(21-11-8-9-12-22(21)31)28-29-25(23)27(32)30(26)17-6-4-2/h8-9,11-16,26,31H,3-7,10,17-18H2,1-2H3,(H,28,29)/t26-/m0/s1

InChI Key

YAEKDSJXZKZLSM-SANMLTNESA-N

MDL Number (MFCD)

MFCD06647612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.339

Distribution Coefficient, logD

7.328

Water Solubility, LogSw

-5.52

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

40.70

References: we are preparing a list of scientific research reports with D074-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0506?
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What is the minimum amount of D074-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0506
  • 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 D074-0506 available by request