8008-1532 Screening compound: 2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2-chlorobenzoate

8008-1532 Screening compound: 2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2-chlorobenzoate
8008-1532 Screening compound: 2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1532
2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2-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

8008-1532

Molecular Formula

C19H18ClNO4S (C19 H18 ClNO4 S)

Compound Name

2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2-chlorobenzoate

IUPAC name

2-methoxy-5-(morpholine-4-carbothioyl)phenyl 2-chlorobenzoate

SMILES

COc(ccc(C(N1CCOCC1)=S)c1)c1OC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C19H18ClNO4S/c1-23-16-7-6-13(18(26)21-8-10-24-11-9-21)12-17(16)25-19(22)14-4-2-3-5-15(14)20/h2-7,12H,8-11H2,1H3

InChI Key

UMVWKALAEOMPRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.52

Polar Surface Area

38.190

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8008-1532 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8008-1532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1532?
Check Price and Availability of 8008-1532, 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 8008-1532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1532
  • 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 8008-1532 available by request