S529-0361 Screening compound: 2-{2-cyclopropyl-5-oxo-5H,6H,7H,8H,9H-pyrimido[5,4-c]azepin-6-yl}-N-(2-methoxyethyl)acetamide

S529-0361 Screening compound: 2-{2-cyclopropyl-5-oxo-5H,6H,7H,8H,9H-pyrimido[5,4-c]azepin-6-yl}-N-(2-methoxyethyl)acetamide
S529-0361 Screening compound: 2-{2-cyclopropyl-5-oxo-5H,6H,7H,8H,9H-pyrimido[5,4-c]azepin-6-yl}-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S529-0361
2-{2-cyclopropyl-5-oxo-5H,6H,7H,8H,9H-pyrimido[5,4-c]azepin-6-yl}-N-(2-methoxyethyl)acetamide

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

S529-0361

Molecular Formula

C16H22N4O3 (C16 H22 N4 O3)

Compound Name

2-{2-cyclopropyl-5-oxo-5H,6H,7H,8H,9H-pyrimido[5,4-c]azepin-6-yl}-N-(2-methoxyethyl)acetamide

IUPAC name

2-{2-cyclopropyl-5-oxo-5H6H7H8H9H-pyrimido[54-c]azepin-6-yl}-N-(2-methoxyethyl)acetamide

SMILES

COCCNC(CN(CCCc1c2cnc(C3CC3)n1)C2=O)=O

InChI

InChI=1S/C16H22N4O3/c1-23-8-6-17-14(21)10-20-7-2-3-13-12(16(20)22)9-18-15(19-13)11-4-5-11/h9,11H,2-8,10H2,1H3,(H,17,21)

InChI Key

ICBBCPZHHGFFLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.052

Distribution Coefficient, logD

0.052

Water Solubility, LogSw

-1.74

Polar Surface Area

70.689

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

S529-0361 in Drug Discovery

Included in Screening Libraries

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

Allosteric Kinases Inhibitors Library (23117 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S529-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S529-0361?
Check Price and Availability of S529-0361, 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 S529-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S529-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S529-0361
  • 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 S529-0361 available by request