Screening compound: JAUWBIIFCBVCAU-UHFFFAOYSA-N

Screening compound: JAUWBIIFCBVCAU-UHFFFAOYSA-N
Screening compound: JAUWBIIFCBVCAU-UHFFFAOYSA-N alternative view

Chemical Structure Depiction of ChemDiv screening compound
JAUWBIIFCBVCAU-UHFFFAOYSA-N

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

D037-0040

Molecular Formula

C21H13NO7S (C21 H13 NO7 S)

Compound Name

2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-(4-nitrophenoxy)acetate

IUPAC name

2-oxo-7-phenyl-2H-13-benzoxathiol-5-yl 2-(4-nitrophenoxy)acetate

SMILES

[O-][N+](c(cc1)ccc1OCC(Oc(cc1-c2ccccc2)cc(S2)c1OC2=O)=O)=O

InChI

InChI=1S/C21H13NO7S/c23-19(12-27-15-8-6-14(7-9-15)22(25)26)28-16-10-17(13-4-2-1-3-5-13)20-18(11-16)30-21(24)29-20/h1-11H,12H2

InChI Key

JAUWBIIFCBVCAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646883

JAUWBIIFCBVCAU-UHFFFAOYSA-N in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

Frequently Asked Questions

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