0149-0069 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

0149-0069 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
0149-0069 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0149-0069
3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

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

0149-0069

Molecular Formula

C26H33NO3S2 (C26 H33 NO3 S2)

Compound Name

3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate

IUPAC name

3-(35-di-tert-butyl-4-hydroxyphenyl)propyl 2-(13-benzothiazol-2-ylsulfanyl)acetate

SMILES

CC(C)(C)c1cc(CCCOC(CSc2nc(cccc3)c3s2)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C26H33NO3S2/c1-25(2,3)18-14-17(15-19(23(18)29)26(4,5)6)10-9-13-30-22(28)16-31-24-27-20-11-7-8-12-21(20)32-24/h7-8,11-12,14-15,29H,9-10,13,16H2,1-6H3

InChI Key

ARWNQRCBKSRSBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00601895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.724

Distribution Coefficient, logD

7.724

Water Solubility, LogSw

-5.51

Polar Surface Area

44.980

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with 0149-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0149-0069?
Check Price and Availability of 0149-0069, 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 0149-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0149-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0149-0069
  • 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 0149-0069 available by request