D126-0181 Screening compound: 3-(2-hydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-5-(3-methoxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0181 Screening compound: 3-(2-hydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-5-(3-methoxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0181 Screening compound: 3-(2-hydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-5-(3-methoxypropyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D126-0181
3-(2-hydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-5-(3-methoxypropyl)-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

D126-0181

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(-c2n[nH]c3c2C(c(cc2)ccc2OC)N(CCCOC)C3=O)c1O

InChI

InChI=1S/C23H25N3O4/c1-14-5-10-18(27)17(13-14)20-19-21(25-24-20)23(28)26(11-4-12-29-2)22(19)15-6-8-16(30-3)9-7-15/h5-10,13,22,27H,4,11-12H2,1-3H3,(H,24,25)/t22-/m0/s1

InChI Key

BQSRUGLHTOCMQS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD12915775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.182

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-3.83

Polar Surface Area

72.823

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D126-0181 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D126-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0181?
Check Price and Availability of D126-0181, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D126-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0181
  • 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 D126-0181 available by request