Screening compound: InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3

Chemical Structure Depiction of ChemDiv screening compound
InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K891-0416

Molecular Formula

C₂₁H₂₁ClN₂O₂S (C21 H21 ClN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(sc1c2c(-c(cc3)ccc3Cl)c(CCCCC3)c3n1)c2N)=O

InChI

InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3

InChI Key

TXTKJWQZQAWBKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03665974

InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Female
Congenital
Skin
Antiviral
Infections
Immune system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds

Targets:

Kinases

Mechanism of action:

PPI modulators
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3?
Check Price and Availability of InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3, 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/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for InChI=1S/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3
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/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3

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/C21H21ClN2O2S/c1-2-26-21(25)19-18(23)17-16(12-8-10-13(22)11-9-12)14-6-4-3-5-7-15(14)24-20(17)27-19/h8-11H,2-7,23H2,1H3 available by request