Screening compound: InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3

Screening compound: InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3
Screening compound: InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3 alternative view

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3

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

K891-0445

Molecular Formula

C21H22N2O2S (C21 H22 N2 O2 S)

Compound Name

methyl 3-amino-4-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate

IUPAC name

methyl 6-amino-8-(4-methylphenyl)-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-1(9)257-tetraene-5-carboxylate

SMILES

Cc(cc1)ccc1-c1c(c(N)c(C(OC)=O)s2)c2nc2c1CCCCC2

InChI

InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3

InChI Key

BRGJQRQJKNITPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03667342

InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3?
Check Price and Availability of InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3, 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 InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3
  • 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 InChI=1S/C21H22N2O2S/c1-12-8-10-13(11-9-12)16-14-6-4-3-5-7-15(14)23-20-17(16)18(22)19(26-20)21(24)25-2/h8-11H,3-7,22H2,1-2H3 available by request