D126-0782 Screening compound: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-5-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D126-0782 Screening compound: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-5-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D126-0782 Screening compound: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-5-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D126-0782
5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-5-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-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

D126-0782

Molecular Formula

C31H33N3O7 (C31 H33 N3 O7)

Compound Name

5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-5-methylphenyl)-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-[2-(34-dimethoxyphenyl)ethyl]-3-(2-hydroxy-5-methylphenyl)-4-(345-trimethoxyphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc(cc1)cc(-c2n[nH]c3c2C(c(cc2OC)cc(OC)c2OC)N(CCc(cc2)cc(OC)c2OC)C3=O)c1O

InChI

InChI=1S/C31H33N3O7/c1-17-7-9-21(35)20(13-17)27-26-28(33-32-27)31(36)34(12-11-18-8-10-22(37-2)23(14-18)38-3)29(26)19-15-24(39-4)30(41-6)25(16-19)40-5/h7-10,13-16,29,35H,11-12H2,1-6H3,(H,32,33)/t29-/m0/s1

InChI Key

HGFQYINWMWOKEB-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD07427309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.117

Distribution Coefficient, logD

5.112

Water Solubility, LogSw

-4.66

Polar Surface Area

94.904

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

D126-0782 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D126-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D126-0782?
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What is the minimum amount of D126-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D126-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D126-0782
  • 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 D126-0782 available by request