Screening compound: C17H20ClFN4O (S039-1689)

Screening compound: C<sub>17</sub>H<sub>20</sub>ClFN<sub>4</sub>O (S039-1689)
Screening compound: C<sub>17</sub>H<sub>20</sub>ClFN<sub>4</sub>O (S039-1689) alternative view

Chemical Structure Depiction of ChemDiv screening compound
C17H20ClFN4O (S039-1689)

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

S039-1689

Molecular Formula

C17H20ClFN4O (C17 H20 ClFN4 O)

Compound Name

7-[(3-chloro-4-fluorophenyl)methyl]-2-(dimethylamino)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-d]azepin-4-one

IUPAC name

7-[(3-chloro-4-fluorophenyl)methyl]-2-(dimethylamino)-3H4H5H6H7H8H9H-pyrimido[45-d]azepin-4-one

SMILES

CN(C)C(N1)=NC(CCN(Cc(cc2)cc(Cl)c2F)CC2)=C2C1=O

InChI

InChI=1S/C17H20ClFN4O/c1-22(2)17-20-15-6-8-23(7-5-12(15)16(24)21-17)10-11-3-4-14(19)13(18)9-11/h3-4,9H,5-8,10H2,1-2H3,(H,20,21,24)

InChI Key

GHGBTGJOHNYKLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28996005

C17H20ClFN4O (S039-1689) in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C17H20ClFN4O (S039-1689) chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C17H20ClFN4O (S039-1689)?
Check Price and Availability of C17H20ClFN4O (S039-1689), 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 C17H20ClFN4O (S039-1689) you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C17H20ClFN4O (S039-1689)
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C17H20ClFN4O (S039-1689)
  • 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 C17H20ClFN4O (S039-1689) available by request