3203-0005 Screening compound: N,N-dimethyl{[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}carbothioamide

3203-0005 Screening compound: N,N-dimethyl{[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}carbothioamide
3203-0005 Screening compound: N,N-dimethyl{[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3203-0005
N,N-dimethyl{[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}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

3203-0005

Molecular Formula

C18H29NOS2 (C18 H29 NOS2)

Compound Name

N,N-dimethyl{[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}carbothioamide

IUPAC name

NN-dimethyl{[(35-di-tert-butyl-4-hydroxyphenyl)methyl]sulfanyl}carbothioamide

SMILES

CC(C)(C)c1cc(CSC(N(C)C)=S)cc(C(C)(C)C)c1O

InChI

InChI=1S/C18H29NOS2/c1-17(2,3)13-9-12(11-22-16(21)19(7)8)10-14(15(13)20)18(4,5)6/h9-10,20H,11H2,1-8H3

InChI Key

HOXPSLHGABYGKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00402431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.123

Distribution Coefficient, logD

5.123

Water Solubility, LogSw

-4.92

Polar Surface Area

17.890

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with 3203-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3203-0005?
Check Price and Availability of 3203-0005, 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 3203-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3203-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3203-0005
  • 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 3203-0005 available by request