D074-0286 Screening compound: 4-(4-butoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0286 Screening compound: 4-(4-butoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0286 Screening compound: 4-(4-butoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0286
4-(4-butoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-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

D074-0286

Molecular Formula

C30H31N3O4 (C30 H31 N3 O4)

Compound Name

4-(4-butoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(4-butoxyphenyl)-3-(2-hydroxyphenyl)-5-[2-(4-methoxyphenyl)ethyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCCOc1ccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CCc(cc2)ccc2OC)C3=O)cc1

InChI

InChI=1S/C30H31N3O4/c1-3-4-19-37-23-15-11-21(12-16-23)29-26-27(24-7-5-6-8-25(24)34)31-32-28(26)30(35)33(29)18-17-20-9-13-22(36-2)14-10-20/h5-16,29,34H,3-4,17-19H2,1-2H3,(H,31,32)/t29-/m0/s1

InChI Key

WHEPCUCJZRVPQC-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD07425347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.876

Distribution Coefficient, logD

6.864

Water Solubility, LogSw

-5.61

Polar Surface Area

71.627

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

D074-0286 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Therapeutical Diversity Annotated Library (7563 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 D074-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0286?
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What is the minimum amount of D074-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0286
  • 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 D074-0286 available by request