0195-0029 Screening compound: pentyl 3-fluorobenzoate

0195-0029 Screening compound: pentyl 3-fluorobenzoate
0195-0029 Screening compound: pentyl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0195-0029
pentyl 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

0195-0029

Molecular Formula

C12H15FO2 (C12 H15 FO2)

Compound Name

pentyl 3-fluorobenzoate

IUPAC name

pentyl 3-fluorobenzoate

SMILES

CCCCCOC(c1cccc(F)c1)=O

InChI

InChI=1S/C12H15FO2/c1-2-3-4-8-15-12(14)10-6-5-7-11(13)9-10/h5-7,9H,2-4,8H2,1H3

InChI Key

ZCAAGYKAYYODCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00455603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.329

Distribution Coefficient, logD

4.329

Water Solubility, LogSw

-4.31

Polar Surface Area

21.286

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0195-0029 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0195-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0195-0029?
Check Price and Availability of 0195-0029, 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 0195-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0195-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0195-0029
  • 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 0195-0029 available by request