3405-0033 Screening compound: 2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-chlorobenzoate

3405-0033 Screening compound: 2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-chlorobenzoate
3405-0033 Screening compound: 2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3405-0033
2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-chlorobenzoate

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

3405-0033

Molecular Formula

C20H20ClNO3S (C20 H20 ClNO3 S)

Compound Name

2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-chlorobenzoate

IUPAC name

2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-chlorobenzoate

SMILES

COc(cc(cc1)C(N2CCCCC2)=S)c1OC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H20ClNO3S/c1-24-18-13-15(19(26)22-11-3-2-4-12-22)7-10-17(18)25-20(23)14-5-8-16(21)9-6-14/h5-10,13H,2-4,11-12H2,1H3

InChI Key

JMKHLMUPDCXOES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.080

Distribution Coefficient, logD

5.080

Water Solubility, LogSw

-5.52

Polar Surface Area

30.282

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 3405-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3405-0033?
Check Price and Availability of 3405-0033, 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 3405-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3405-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3405-0033
  • 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 3405-0033 available by request