D126-0047 Screening compound: 3-(2-hydroxy-5-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0047 Screening compound: 3-(2-hydroxy-5-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0047 Screening compound: 3-(2-hydroxy-5-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D126-0047
3-(2-hydroxy-5-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(propan-2-yl)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

D126-0047

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

3-(2-hydroxy-5-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

3-(2-hydroxy-5-methylphenyl)-5-(2-hydroxyethyl)-4-[4-(propan-2-yl)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CC(C)c1ccc(C(c2c3[nH]nc2-c(cc(C)cc2)c2O)N(CCO)C3=O)cc1

InChI

InChI=1S/C23H25N3O3/c1-13(2)15-5-7-16(8-6-15)22-19-20(17-12-14(3)4-9-18(17)28)24-25-21(19)23(29)26(22)10-11-27/h4-9,12-13,22,27-28H,10-11H2,1-3H3,(H,24,25)/t22-/m0/s1

InChI Key

DNAHFMPBQQUHDA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06649126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.747

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.11

Polar Surface Area

73.592

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D126-0047 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D126-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0047?
Check Price and Availability of D126-0047, 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 D126-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0047
  • 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 D126-0047 available by request