P930-5561 Screening compound: 3-(4-fluorophenyl)-5-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidin-2-yl}-4H-1,2,4-triazole

P930-5561 Screening compound: 3-(4-fluorophenyl)-5-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidin-2-yl}-4H-1,2,4-triazole
P930-5561 Screening compound: 3-(4-fluorophenyl)-5-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidin-2-yl}-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-5561
3-(4-fluorophenyl)-5-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidin-2-yl}-4H-1,2,4-triazole

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

P930-5561

Molecular Formula

C26H29FN4O2 (C26 H29 FN4 O2)

Compound Name

3-(4-fluorophenyl)-5-{1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidin-2-yl}-4H-1,2,4-triazole

IUPAC name

3-(4-fluorophenyl)-5-[(2S)-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidin-2-yl]-4H-124-triazole

SMILES

COc1ccc(C2(CCCCC2)C(N(CCC2)[C@@H]2c2nnc(-c(cc3)ccc3F)[nH]2)=O)cc1

InChI

InChI=1S/C26H29FN4O2/c1-33-21-13-9-19(10-14-21)26(15-3-2-4-16-26)25(32)31-17-5-6-22(31)24-28-23(29-30-24)18-7-11-20(27)12-8-18/h7-14,22H,2-6,15-17H2,1H3,(H,28,29,30)/t22-/m0/s1

InChI Key

BQTZQXMPNIIIOZ-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.475

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.17

Polar Surface Area

57.924

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

P930-5561 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with P930-5561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-5561?
Check Price and Availability of P930-5561, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P930-5561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-5561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-5561
  • 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 P930-5561 available by request