F862-0725 Screening compound: 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

F862-0725 Screening compound: 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
F862-0725 Screening compound: 2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F862-0725
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

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

F862-0725

Molecular Formula

C22H29N3O2S (C22 H29 N3 O2 S)

Compound Name

2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

IUPAC name

2-[1-(35-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide

SMILES

Cc1c(C(N2CCC(CC(NCc(cc3)ccc3SC)=O)CC2)=O)[nH]c(C)c1

InChI

InChI=1S/C22H29N3O2S/c1-15-12-16(2)24-21(15)22(27)25-10-8-17(9-11-25)13-20(26)23-14-18-4-6-19(28-3)7-5-18/h4-7,12,17,24H,8-11,13-14H2,1-3H3,(H,23,26)

InChI Key

BQFSRBCEQXKUPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

3.382

Water Solubility, LogSw

-3.67

Polar Surface Area

51.298

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

F862-0725 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F862-0725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F862-0725?
Check Price and Availability of F862-0725, 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 F862-0725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F862-0725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F862-0725
  • 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 F862-0725 available by request