5821-0274 Screening compound: 1-(pyrrolidin-1-yl)propan-2-yl 3-fluorobenzoate

5821-0274 Screening compound: 1-(pyrrolidin-1-yl)propan-2-yl 3-fluorobenzoate
5821-0274 Screening compound: 1-(pyrrolidin-1-yl)propan-2-yl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5821-0274
1-(pyrrolidin-1-yl)propan-2-yl 3-fluorobenzoate

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

5821-0274

Molecular Formula

C14H18FNO2 (C14 H18 FNO2)

Compound Name

1-(pyrrolidin-1-yl)propan-2-yl 3-fluorobenzoate

IUPAC name

1-(pyrrolidin-1-yl)propan-2-yl 3-fluorobenzoate

SMILES

CC(CN1CCCC1)OC(c1cccc(F)c1)=O

InChI

InChI=1S/C14H18FNO2/c1-11(10-16-7-2-3-8-16)18-14(17)12-5-4-6-13(15)9-12/h4-6,9,11H,2-3,7-8,10H2,1H3/t11-/m0/s1

InChI Key

WNFUXRNHEDEFKR-NSHDSACASA-N

MDL Number (MFCD)

MFCD03785513

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

251.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

1.470

Water Solubility, LogSw

-2.90

Polar Surface Area

24.653

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

5821-0274 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5821-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5821-0274?
Check Price and Availability of 5821-0274, 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 5821-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5821-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5821-0274
  • 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 5821-0274 available by request