D074-0261 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0261 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0261 Screening compound: 4-(3-butoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0261
4-(3-butoxyphenyl)-3-(2-hydroxyphenyl)-5-(2-phenylethyl)-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

D074-0261

Molecular Formula

C29H29N3O3 (C29 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1cccc(C(c2c3[nH]nc2-c(cccc2)c2O)N(CCc2ccccc2)C3=O)c1

InChI

InChI=1S/C29H29N3O3/c1-2-3-18-35-22-13-9-12-21(19-22)28-25-26(23-14-7-8-15-24(23)33)30-31-27(25)29(34)32(28)17-16-20-10-5-4-6-11-20/h4-15,19,28,33H,2-3,16-18H2,1H3,(H,30,31)/t28-/m0/s1

InChI Key

DFHYUNNNKGWCFH-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD06646664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.932

Distribution Coefficient, logD

6.921

Water Solubility, LogSw

-5.59

Polar Surface Area

64.083

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

D074-0261 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 D074-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0261?
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What is the minimum amount of D074-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0261
  • 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 D074-0261 available by request