0833-0504 Screening compound: 5-hexyl-2,4-dihydroxybenzaldehyde

0833-0504 Screening compound: 5-hexyl-2,4-dihydroxybenzaldehyde
0833-0504 Screening compound: 5-hexyl-2,4-dihydroxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 0833-0504
5-hexyl-2,4-dihydroxybenzaldehyde

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

0833-0504

Molecular Formula

C13H18O3 (C13 H18 O3)

Compound Name

5-hexyl-2,4-dihydroxybenzaldehyde

IUPAC name

5-hexyl-24-dihydroxybenzaldehyde

SMILES

CCCCCCc(c(O)c1)cc(C=O)c1O

InChI

InChI=1S/C13H18O3/c1-2-3-4-5-6-10-7-11(9-14)13(16)8-12(10)15/h7-9,15-16H,2-6H2,1H3

InChI Key

UBCGVJPYIHKJRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00088975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-2.98

Polar Surface Area

47.494

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

0833-0504 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0833-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0833-0504?
Check Price and Availability of 0833-0504, 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 0833-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0833-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0833-0504
  • 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 0833-0504 available by request