8015-1907 Screening compound: 2-methoxy-4-(piperidinocarbothioyl)phenyl 4-methyl-1-benzenesulfonate

8015-1907 Screening compound: 2-methoxy-4-(piperidinocarbothioyl)phenyl 4-methyl-1-benzenesulfonate
8015-1907 Screening compound: 2-methoxy-4-(piperidinocarbothioyl)phenyl 4-methyl-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-1907
2-methoxy-4-(piperidinocarbothioyl)phenyl 4-methyl-1-benzenesulfonate

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

8015-1907

Molecular Formula

C20H23NO4S2 (C20 H23 NO4 S2)

Compound Name

2-methoxy-4-(piperidinocarbothioyl)phenyl 4-methyl-1-benzenesulfonate

IUPAC name

2-methoxy-4-(piperidine-1-carbothioyl)phenyl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(Oc(ccc(C(N1CCCCC1)=S)c1)c1OC)(=O)=O

InChI

InChI=1S/C20H23NO4S2/c1-15-6-9-17(10-7-15)27(22,23)25-18-11-8-16(14-19(18)24-2)20(26)21-12-4-3-5-13-21/h6-11,14H,3-5,12-13H2,1-2H3

InChI Key

XMBQJBIXMQHAAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01421045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-4.30

Polar Surface Area

45.665

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with 8015-1907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-1907?
Check Price and Availability of 8015-1907, 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 8015-1907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-1907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-1907
  • 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 8015-1907 available by request