Screening compound: C21H22FN3O2 (S572-0655)

Screening compound: C<sub>21</sub>H<sub>22</sub>FN<sub>3</sub>O<sub>2</sub> (S572-0655)
Screening compound: C<sub>21</sub>H<sub>22</sub>FN<sub>3</sub>O<sub>2</sub> (S572-0655) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C21H22FN3O2 (S572-0655)

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

S572-0655

Molecular Formula

C21H22FN3O2 (C21 H22 FN3 O2)

Compound Name

[(1R,9S)-5-(4-fluorophenyl)-4,6,12-triazatricyclo[7.2.1.0~2,7~]dodeca-2(7),3,5-trien-12-yl](tetrahydro-2H-pyran-4-yl)methanone

IUPAC name

(1R9S)-5-(4-fluorophenyl)-12-(oxane-4-carbonyl)-4612-triazatricyclo[7.2.1.0^{27}]dodeca-2(7)35-triene

SMILES

O=C(C1CCOCC1)N([C@H](CC1)C2)[C@@H]1c1c2nc(-c(cc2)ccc2F)nc1

InChI

InChI=1S/C21H22FN3O2/c22-15-3-1-13(2-4-15)20-23-12-17-18(24-20)11-16-5-6-19(17)25(16)21(26)14-7-9-27-10-8-14/h1-4,12,14,16,19H,5-11H2/t16-,19-/m0/s1

InChI Key

VZWWJFIKVQZKFH-LPHOPBHVSA-N

MDL Number (MFCD)

C21H22FN3O2 (S572-0655) in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C21H22FN3O2 (S572-0655) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C21H22FN3O2 (S572-0655)?
Check Price and Availability of C21H22FN3O2 (S572-0655), 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 C21H22FN3O2 (S572-0655) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C21H22FN3O2 (S572-0655)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C21H22FN3O2 (S572-0655)
  • 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 C21H22FN3O2 (S572-0655) available by request