3093-0021 Screening compound: 4,6-di-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazol-7-ol

3093-0021 Screening compound: 4,6-di-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazol-7-ol
3093-0021 Screening compound: 4,6-di-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazol-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3093-0021
4,6-di-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazol-7-ol

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

3093-0021

Molecular Formula

C22H27NO3 (C22 H27 NO3)

Compound Name

4,6-di-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazol-7-ol

IUPAC name

46-di-tert-butyl-2-(4-methoxyphenyl)-13-benzoxazol-7-ol

SMILES

CC(C)(C)c(cc1C(C)(C)C)c2nc(-c(cc3)ccc3OC)oc2c1O

InChI

InChI=1S/C22H27NO3/c1-21(2,3)15-12-16(22(4,5)6)18(24)19-17(15)23-20(26-19)13-8-10-14(25-7)11-9-13/h8-12,24H,1-7H3

InChI Key

KOLSCRFLAJUDMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.037

Distribution Coefficient, logD

5.988

Water Solubility, LogSw

-5.55

Polar Surface Area

41.075

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 3093-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3093-0021?
Check Price and Availability of 3093-0021, 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 3093-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3093-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3093-0021
  • 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 3093-0021 available by request