D126-0085 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0085 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0085 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D126-0085
4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-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

D126-0085

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

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

IUPAC name

4-(3-butoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCCOc1cccc(C(c2c3[nH]nc2-c(cc(C)cc2)c2O)N(CCCO)C3=O)c1

InChI

InChI=1S/C25H29N3O4/c1-3-4-13-32-18-8-5-7-17(15-18)24-21-22(19-14-16(2)9-10-20(19)30)26-27-23(21)25(31)28(24)11-6-12-29/h5,7-10,14-15,24,29-30H,3-4,6,11-13H2,1-2H3,(H,26,27)/t24-/m0/s1

InChI Key

DTGNTMPOPSDAAW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD12919940

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

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.957

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.25

Polar Surface Area

81.010

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with D126-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0085?
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What is the minimum amount of D126-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0085
  • 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 D126-0085 available by request