1166-1181 Screening compound: 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl methyl carbonate

1166-1181 Screening compound: 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl methyl carbonate
1166-1181 Screening compound: 5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl methyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1166-1181
5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl methyl carbonate

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

1166-1181

Molecular Formula

C9H5ClO5S (C9 H5 ClO5 S)

Compound Name

5-chloro-2-oxo-2H-1,3-benzoxathiol-6-yl methyl carbonate

IUPAC name

5-chloro-2-oxo-2H-13-benzoxathiol-6-yl methyl carbonate

SMILES

COC(Oc(cc(c(S1)c2)OC1=O)c2Cl)=O

InChI

InChI=1S/C9H5ClO5S/c1-13-8(11)14-5-3-6-7(2-4(5)10)16-9(12)15-6/h2-3H,1H3

InChI Key

VRKDEABVIQHIQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.621

Distribution Coefficient, logD

1.621

Water Solubility, LogSw

-2.46

Polar Surface Area

51.583

Acid Dissociation Constant (pKa)

34.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

1166-1181 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

STING Agonist Library (5895 compounds)

Akt-Targeted Library (14764 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 1166-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1166-1181?
Check Price and Availability of 1166-1181, 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 1166-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1166-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1166-1181
  • 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 1166-1181 available by request