0099-0145 Screening compound: butyl 4-hydroxybenzoate

0099-0145 Screening compound: butyl 4-hydroxybenzoate
0099-0145 Screening compound: butyl 4-hydroxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0145
butyl 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

0099-0145

Molecular Formula

C11H14O3 (C11 H14 O3)

Compound Name

butyl 4-hydroxybenzoate

IUPAC name

butyl 4-hydroxybenzoate

SMILES

CCCCOC(c(cc1)ccc1O)=O

InChI

InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3

InChI Key

QFOHBWFCKVYLES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00016478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

194.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-2.87

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

36.40

0099-0145 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0099-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0145?
Check Price and Availability of 0099-0145, 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 0099-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0145
  • 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 0099-0145 available by request