D126-0061 Screening compound: 4-(4-ethoxy-3-methoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0061 Screening compound: 4-(4-ethoxy-3-methoxyphenyl)-3-(2-hydroxy-5-methylphenyl)-5-(3-hydroxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0061 Screening compound: 4-(4-ethoxy-3-methoxyphenyl)-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 D126-0061
4-(4-ethoxy-3-methoxyphenyl)-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

D126-0061

Molecular Formula

C24H27N3O5 (C24 H27 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(C(c1c2[nH]nc1-c(cc(C)cc1)c1O)N(CCCO)C2=O)c1)c1OC

InChI

InChI=1S/C24H27N3O5/c1-4-32-18-9-7-15(13-19(18)31-3)23-20-21(16-12-14(2)6-8-17(16)29)25-26-22(20)24(30)27(23)10-5-11-28/h6-9,12-13,23,28-29H,4-5,10-11H2,1-3H3,(H,25,26)/t23-/m0/s1

InChI Key

MZUPSBYRIRWJFK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD12918187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.489

Water Solubility, LogSw

-3.25

Polar Surface Area

88.433

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D126-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0061?
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What is the minimum amount of D126-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0061
  • 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 D126-0061 available by request