3282-0499 Screening compound: 2,6-di-tert-butyl-4-[hydroxy(1-propyl-1H-1,3-benzodiazol-2-yl)methyl]phenol

3282-0499 Screening compound: 2,6-di-tert-butyl-4-[hydroxy(1-propyl-1H-1,3-benzodiazol-2-yl)methyl]phenol
3282-0499 Screening compound: 2,6-di-tert-butyl-4-[hydroxy(1-propyl-1H-1,3-benzodiazol-2-yl)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3282-0499
2,6-di-tert-butyl-4-[hydroxy(1-propyl-1H-1,3-benzodiazol-2-yl)methyl]phenol

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

3282-0499

Molecular Formula

C25H34N2O2 (C25 H34 N2 O2)

Compound Name

2,6-di-tert-butyl-4-[hydroxy(1-propyl-1H-1,3-benzodiazol-2-yl)methyl]phenol

IUPAC name

26-di-tert-butyl-4-[hydroxy(1-propyl-1H-13-benzodiazol-2-yl)methyl]phenol

SMILES

CCCn1c(cccc2)c2nc1C(c(cc1C(C)(C)C)cc(C(C)(C)C)c1O)O

InChI

InChI=1S/C25H34N2O2/c1-8-13-27-20-12-10-9-11-19(20)26-23(27)21(28)16-14-17(24(2,3)4)22(29)18(15-16)25(5,6)7/h9-12,14-15,21,28-29H,8,13H2,1-7H3/t21-/m1/s1

InChI Key

PMRVMIVVJJRYAL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01954540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.322

Distribution Coefficient, logD

6.310

Water Solubility, LogSw

-5.75

Polar Surface Area

41.309

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

3282-0499 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3282-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3282-0499?
Check Price and Availability of 3282-0499, 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 3282-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3282-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3282-0499
  • 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 3282-0499 available by request