0074-0035 Screening compound: pentyl 4-hydroxybenzoate

0074-0035 Screening compound: pentyl 4-hydroxybenzoate
0074-0035 Screening compound: pentyl 4-hydroxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0035
pentyl 4-hydroxybenzoate

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

0074-0035

Molecular Formula

C12H16O3 (C12 H16 O3)

Compound Name

pentyl 4-hydroxybenzoate

IUPAC name

pentyl 4-hydroxybenzoate

SMILES

CCCCCOC(c(cc1)ccc1O)=O

InChI

InChI=1S/C12H16O3/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3

InChI Key

ZNSSPLQZSUWFJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00016479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.706

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-3.78

Polar Surface Area

38.903

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0074-0035 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

Soluble Diversity Library (15920 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0074-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0035?
Check Price and Availability of 0074-0035, 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 0074-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0035
  • 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 0074-0035 available by request