3377-0081 Screening compound: 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzene-1-carbothioamide

3377-0081 Screening compound: 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzene-1-carbothioamide
3377-0081 Screening compound: 3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzene-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3377-0081
3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzene-1-carbothioamide

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

3377-0081

Molecular Formula

C22H29NO2S (C22 H29 NO2 S)

Compound Name

3,5-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzene-1-carbothioamide

IUPAC name

35-di-tert-butyl-4-hydroxy-N-(4-methoxyphenyl)benzene-1-carbothioamide

SMILES

CC(C)(C)c1cc(C(Nc(cc2)ccc2OC)=S)cc(C(C)(C)C)c1O

InChI

InChI=1S/C22H29NO2S/c1-21(2,3)17-12-14(13-18(19(17)24)22(4,5)6)20(26)23-15-8-10-16(25-7)11-9-15/h8-13,24H,1-7H3,(H,23,26)

InChI Key

MVSVREMXLOFLCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00551038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.279

Distribution Coefficient, logD

6.278

Water Solubility, LogSw

-5.60

Polar Surface Area

32.743

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 3377-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3377-0081?
Check Price and Availability of 3377-0081, 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 3377-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3377-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3377-0081
  • 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 3377-0081 available by request