0074-0058 Screening compound: 4-[(2-methylbutoxy)carbonyl]benzoic acid

0074-0058 Screening compound: 4-[(2-methylbutoxy)carbonyl]benzoic acid
0074-0058 Screening compound: 4-[(2-methylbutoxy)carbonyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0074-0058
4-[(2-methylbutoxy)carbonyl]benzoic acid

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

0074-0058

Molecular Formula

C13H16O4 (C13 H16 O4)

Compound Name

4-[(2-methylbutoxy)carbonyl]benzoic acid

IUPAC name

4-[(2-methylbutoxy)carbonyl]benzoic acid

SMILES

CCC(C)COC(c(cc1)ccc1C(O)=O)=O

InChI

InChI=1S/C13H16O4/c1-3-9(2)8-17-13(16)11-6-4-10(5-7-11)12(14)15/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m0/s1

InChI Key

QTTBUTJSNNUYAM-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00804655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

0.252

Water Solubility, LogSw

-4.04

Polar Surface Area

49.776

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

0074-0058 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0074-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0074-0058?
Check Price and Availability of 0074-0058, 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 0074-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0074-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0074-0058
  • 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 0074-0058 available by request