3405-0010 Screening compound: 4-(piperidine-1-carbothioyl)phenyl naphthalene-1-carboxylate

3405-0010 Screening compound: 4-(piperidine-1-carbothioyl)phenyl naphthalene-1-carboxylate
3405-0010 Screening compound: 4-(piperidine-1-carbothioyl)phenyl naphthalene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3405-0010
4-(piperidine-1-carbothioyl)phenyl naphthalene-1-carboxylate

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

3405-0010

Molecular Formula

C23H21NO2S (C23 H21 NO2 S)

Compound Name

4-(piperidine-1-carbothioyl)phenyl naphthalene-1-carboxylate

IUPAC name

4-(piperidine-1-carbothioyl)phenyl naphthalene-1-carboxylate

SMILES

O=C(c1cccc2ccccc12)Oc(cc1)ccc1C(N1CCCCC1)=S

InChI

InChI=1S/C23H21NO2S/c25-23(21-10-6-8-17-7-2-3-9-20(17)21)26-19-13-11-18(12-14-19)22(27)24-15-4-1-5-16-24/h2-3,6-14H,1,4-5,15-16H2

InChI Key

MDDZPQUYEGYDAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.603

Distribution Coefficient, logD

5.603

Water Solubility, LogSw

-6.77

Polar Surface Area

22.293

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 3405-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3405-0010?
Check Price and Availability of 3405-0010, 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 3405-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3405-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3405-0010
  • 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 3405-0010 available by request