3405-0188 Screening compound: 1-(3-bromo-4,5-dimethoxybenzenecarbothioyl)piperidine

3405-0188 Screening compound: 1-(3-bromo-4,5-dimethoxybenzenecarbothioyl)piperidine
3405-0188 Screening compound: 1-(3-bromo-4,5-dimethoxybenzenecarbothioyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3405-0188
1-(3-bromo-4,5-dimethoxybenzenecarbothioyl)piperidine

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

3405-0188

Molecular Formula

C14H18BrNO2S (C14 H18 BrNO2 S)

Compound Name

1-(3-bromo-4,5-dimethoxybenzenecarbothioyl)piperidine

IUPAC name

1-(3-bromo-45-dimethoxybenzenecarbothioyl)piperidine

SMILES

COc1cc(C(N2CCCCC2)=S)cc(Br)c1OC

InChI

InChI=1S/C14H18BrNO2S/c1-17-12-9-10(8-11(15)13(12)18-2)14(19)16-6-4-3-5-7-16/h8-9H,3-7H2,1-2H3

InChI Key

XTWSEKZNKNHZGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01053406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.22

Polar Surface Area

17.534

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3405-0188 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3405-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3405-0188?
Check Price and Availability of 3405-0188, 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 3405-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3405-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3405-0188
  • 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 3405-0188 available by request