0471-0002 Screening compound: methyl 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate

0471-0002 Screening compound: methyl 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
0471-0002 Screening compound: methyl 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0471-0002
methyl 5-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]-2-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

0471-0002

Molecular Formula

C23H30O4 (C23 H30 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H30O4/c1-22(2,3)17-12-15(13-18(20(17)25)23(4,5)6)10-14-8-9-19(24)16(11-14)21(26)27-7/h8-9,11-13,24-25H,10H2,1-7H3

InChI Key

MZFYVRYUZUSSEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.316

Distribution Coefficient, logD

6.308

Water Solubility, LogSw

-5.31

Polar Surface Area

53.168

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

0471-0002 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0471-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0471-0002?
Check Price and Availability of 0471-0002, 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 0471-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0471-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0471-0002
  • 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 0471-0002 available by request