D074-0498 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

D074-0498 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
D074-0498 Screening compound: 5-butyl-3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D074-0498
5-butyl-3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)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

D074-0498

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

5-butyl-3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

5-butyl-3-(2-hydroxyphenyl)-4-[3-(3-methylbutoxy)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

CCCCN(C(c1c2[nH]nc1-c(cccc1)c1O)c1cc(OCCC(C)C)ccc1)C2=O

InChI

InChI=1S/C26H31N3O3/c1-4-5-14-29-25(18-9-8-10-19(16-18)32-15-13-17(2)3)22-23(27-28-24(22)26(29)31)20-11-6-7-12-21(20)30/h6-12,16-17,25,30H,4-5,13-15H2,1-3H3,(H,27,28)/t25-/m0/s1

InChI Key

YCZVIVXSIWFFNP-VWLOTQADSA-N

MDL Number (MFCD)

MFCD06647375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

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

6.602

Distribution Coefficient, logD

6.590

Water Solubility, LogSw

-5.40

Polar Surface Area

64.354

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

D074-0498 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D074-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D074-0498?
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What is the minimum amount of D074-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D074-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D074-0498
  • 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 D074-0498 available by request