Screening compound: C22H21BrN4O4S (4896-3909)

Screening compound: C<sub>22</sub>H<sub>21</sub>BrN<sub>4</sub>O<sub>4</sub>S (4896-3909)
Screening compound: C<sub>22</sub>H<sub>21</sub>BrN<sub>4</sub>O<sub>4</sub>S (4896-3909) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C22H21BrN4O4S (4896-3909)

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

4896-3909

Molecular Formula

C22H21BrN4O4S (C22 H21 BrN4 O4 S)

Compound Name

2-{4-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid

IUPAC name

2-{4-[14-bromo-5-(butylsulfanyl)-8-oxa-34610-tetraazatricyclo[9.4.0.0^{27}]pentadeca-1(11)2(7)351214-hexaen-9-yl]phenoxy}acetic acid

SMILES

CCCCSc1nnc(-c(cc(cc2)Br)c2NC(c(cc2)ccc2OCC(O)=O)O2)c2n1

InChI

InChI=1S/C22H21BrN4O4S/c1-2-3-10-32-22-25-21-19(26-27-22)16-11-14(23)6-9-17(16)24-20(31-21)13-4-7-15(8-5-13)30-12-18(28)29/h4-9,11,20,24H,2-3,10,12H2,1H3,(H,28,29)/t20-/m1/s1

InChI Key

DORRHIPHNSTIQR-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02326634

C22H21BrN4O4S (4896-3909) in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C22H21BrN4O4S (4896-3909) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C22H21BrN4O4S (4896-3909)?
Check Price and Availability of C22H21BrN4O4S (4896-3909), 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 C22H21BrN4O4S (4896-3909) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C22H21BrN4O4S (4896-3909)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C22H21BrN4O4S (4896-3909)
  • 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 C22H21BrN4O4S (4896-3909) available by request