8013-9543 Screening compound: 4-(morpholinocarbothioyl)phenyl 4-methoxy-1-benzenesulfonate

8013-9543 Screening compound: 4-(morpholinocarbothioyl)phenyl 4-methoxy-1-benzenesulfonate
8013-9543 Screening compound: 4-(morpholinocarbothioyl)phenyl 4-methoxy-1-benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9543
4-(morpholinocarbothioyl)phenyl 4-methoxy-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

8013-9543

Molecular Formula

C18H19NO5S2 (C18 H19 NO5 S2)

Compound Name

4-(morpholinocarbothioyl)phenyl 4-methoxy-1-benzenesulfonate

IUPAC name

4-(morpholine-4-carbothioyl)phenyl 4-methoxybenzene-1-sulfonate

SMILES

COc(cc1)ccc1S(Oc(cc1)ccc1C(N1CCOCC1)=S)(=O)=O

InChI

InChI=1S/C18H19NO5S2/c1-22-15-6-8-17(9-7-15)26(20,21)24-16-4-2-14(3-5-16)18(25)19-10-12-23-13-11-19/h2-9H,10-13H2,1H3

InChI Key

PYXSDOHCLILWJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03081010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.132

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.25

Polar Surface Area

53.401

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

8013-9543 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-9543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-9543?
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What is the minimum amount of 8013-9543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9543
  • 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 8013-9543 available by request