S060-0109 Screening compound: 2-(DIMETHYLAMINO)-7-[(1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]-3,5,6,7,8,9-HEXAHYDRO-4H-PYRIMIDO[4,5-D]AZEPIN-4-ONE

S060-0109 Screening compound: 2-(DIMETHYLAMINO)-7-[(1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]-3,5,6,7,8,9-HEXAHYDRO-4H-PYRIMIDO[4,5-D]AZEPIN-4-ONE
S060-0109 Screening compound: 2-(DIMETHYLAMINO)-7-[(1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]-3,5,6,7,8,9-HEXAHYDRO-4H-PYRIMIDO[4,5-D]AZEPIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S060-0109
2-(DIMETHYLAMINO)-7-[(1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]-3,5,6,7,8,9-HEXAHYDRO-4H-PYRIMIDO[4,5-D]AZEPIN-4-ONE

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

S060-0109

Molecular Formula

C15H20N6O2 (C15 H20 N6 O2)

Compound Name

2-(DIMETHYLAMINO)-7-[(1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]-3,5,6,7,8,9-HEXAHYDRO-4H-PYRIMIDO[4,5-D]AZEPIN-4-ONE

IUPAC name

n/a

SMILES

CN(C)C(N1)=NC(CCN(CC2)C(c3ccnn3C)=O)=C2C1=O

InChI

InChI=1S/C15H20N6O2/c1-19(2)15-17-11-6-9-21(8-5-10(11)13(22)18-15)14(23)12-4-7-16-20(12)3/h4,7H,5-6,8-9H2,1-3H3,(H,17,18,22)

InChI Key

XKDIWDQZGOTYJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.834

Distribution Coefficient, logD

-0.852

Water Solubility, LogSw

-1.55

Polar Surface Area

67.717

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

S060-0109 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S060-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S060-0109?
Check Price and Availability of S060-0109, 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 S060-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S060-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S060-0109
  • 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 S060-0109 available by request