C171-0458 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-5-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

C171-0458 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-5-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione
C171-0458 Screening compound: 3-(2,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-5-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C171-0458
3-(2,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-5-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

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

C171-0458

Molecular Formula

C28H27N3O5 (C28 H27 N3 O5)

Compound Name

3-(2,4-dimethoxyphenyl)-1-(4-methylbenzoyl)-5-(4-methylphenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione

IUPAC name

3-(24-dimethoxyphenyl)-1-(4-methylbenzoyl)-5-(4-methylphenyl)-octahydropyrrolo[34-c]pyrazole-46-dione

SMILES

Cc(cc1)ccc1C(N(C(C1C(N2c3ccc(C)cc3)=O)C2=O)NC1c(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C28H27N3O5/c1-16-5-9-18(10-6-16)26(32)31-25-23(24(29-31)21-14-13-20(35-3)15-22(21)36-4)27(33)30(28(25)34)19-11-7-17(2)8-12-19/h5-15,23-25,29H,1-4H3

InChI Key

KUULVWUZGQGPQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-3.78

Polar Surface Area

73.354

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

C171-0458 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiparasite Library (23996 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C171-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C171-0458?
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What is the minimum amount of C171-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C171-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C171-0458
  • 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 C171-0458 available by request