8002-6242 Screening compound: 2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-fluorophenol

8002-6242 Screening compound: 2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-fluorophenol
8002-6242 Screening compound: 2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-fluorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6242
2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-fluorophenol

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

8002-6242

Molecular Formula

C24H21FN2O2 (C24 H21 FN2 O2)

Compound Name

2-[({2-[4-(tert-butyl)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-fluorophenol

IUPAC name

n/a

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(cc(cc2)/N=C/c3cccc(F)c3O)c2o1

InChI

InChI=1S/C24H21FN2O2/c1-24(2,3)17-9-7-15(8-10-17)23-27-20-13-18(11-12-21(20)29-23)26-14-16-5-4-6-19(25)22(16)28/h4-14,28H,1-3H3

InChI Key

ZSGFWKJFXHWHBB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

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

6.682

Distribution Coefficient, logD

6.263

Water Solubility, LogSw

-5.76

Polar Surface Area

40.655

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8002-6242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6242?
Check Price and Availability of 8002-6242, 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 8002-6242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6242
  • 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 8002-6242 available by request