F862-0521 Screening compound: ethyl 5-[4-(1-{[(2-chloro-4-fluorophenyl)methyl]carbamoyl}ethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

F862-0521 Screening compound: ethyl 5-[4-(1-{[(2-chloro-4-fluorophenyl)methyl]carbamoyl}ethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
F862-0521 Screening compound: ethyl 5-[4-(1-{[(2-chloro-4-fluorophenyl)methyl]carbamoyl}ethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F862-0521
ethyl 5-[4-(1-{[(2-chloro-4-fluorophenyl)methyl]carbamoyl}ethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

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

F862-0521

Molecular Formula

C25H31ClFN3O4 (C25 H31 ClFN3 O4)

Compound Name

ethyl 5-[4-(1-{[(2-chloro-4-fluorophenyl)methyl]carbamoyl}ethyl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

IUPAC name

ethyl 5-[4-(1-{[(2-chloro-4-fluorophenyl)methyl]carbamoyl}ethyl)piperidine-1-carbonyl]-24-dimethyl-1H-pyrrole-3-carboxylate

SMILES

CCOC(c1c(C)[nH]c(C(N(CC2)CCC2C(C)C(NCc(ccc(F)c2)c2Cl)=O)=O)c1C)=O

InChI

InChI=1S/C25H31ClFN3O4/c1-5-34-25(33)21-15(3)22(29-16(21)4)24(32)30-10-8-17(9-11-30)14(2)23(31)28-13-18-6-7-19(27)12-20(18)26/h6-7,12,14,17,29H,5,8-11,13H2,1-4H3,(H,28,31)/t14-/m0/s1

InChI Key

NYVITNIELZCDTK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14968441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.99

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.871

Distribution Coefficient, logD

3.871

Water Solubility, LogSw

-4.54

Polar Surface Area

73.035

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

F862-0521 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F862-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F862-0521?
Check Price and Availability of F862-0521, 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 F862-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F862-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F862-0521
  • 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 F862-0521 available by request