Screening compound: C13H13N5O3S2 (8020-4383)

Screening compound: C<sub>13</sub>H<sub>13</sub>N<sub>5</sub>O<sub>3</sub>S<sub>2</sub> (8020-4383)
Screening compound: C<sub>13</sub>H<sub>13</sub>N<sub>5</sub>O<sub>3</sub>S<sub>2</sub> (8020-4383) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C13H13N5O3S2 (8020-4383)

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

8020-4383

Molecular Formula

C13H13N5O3S2 (C13 H13 N5 O3 S2)

Compound Name

ethyl (2E)-2-cyano-3-(4-{[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfinyl]methyl}thiophen-2-yl)prop-2-enoate

IUPAC name

ethyl (2E)-2-cyano-3-(4-{[(1-methyl-1H-1234-tetrazol-5-yl)sulfinyl]methyl}thiophen-2-yl)prop-2-enoate

SMILES

CCOC(/C(/C#N)=C/c1cc(CS(c2nnnn2C)=O)cs1)=O

InChI

InChI=1S/C13H15N5O3S2/c1-3-21-12(19)10(6-14)5-11-4-9(7-22-11)8-23(20)13-15-16-17-18(13)2/h4-5,7H,3,8,23H2,1-2H3

InChI Key

XHWWTEGXARGPFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975760

C13H13N5O3S2 (8020-4383) in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C13H13N5O3S2 (8020-4383) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C13H13N5O3S2 (8020-4383)?
Check Price and Availability of C13H13N5O3S2 (8020-4383), 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 C13H13N5O3S2 (8020-4383) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C13H13N5O3S2 (8020-4383)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C13H13N5O3S2 (8020-4383)
  • 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 C13H13N5O3S2 (8020-4383) available by request