0471-0001 Screening compound: 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid

0471-0001 Screening compound: 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
0471-0001 Screening compound: 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0471-0001
5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoic 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

0471-0001

Molecular Formula

C22H28O4 (C22 H28 O4)

Compound Name

5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid

IUPAC name

5-[(35-di-tert-butyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid

SMILES

CC(C)(C)c1cc(Cc(cc2)cc(C(O)=O)c2O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C22H28O4/c1-21(2,3)16-11-14(12-17(19(16)24)22(4,5)6)9-13-7-8-18(23)15(10-13)20(25)26/h7-8,10-12,23-24H,9H2,1-6H3,(H,25,26)

InChI Key

VYPFILQRNJYPQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.339

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-5.27

Polar Surface Area

60.402

Acid Dissociation Constant (pKa)

4.15

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

0471-0001 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0471-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0471-0001?
Check Price and Availability of 0471-0001, 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 0471-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0471-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0471-0001
  • 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 0471-0001 available by request