C849-0590 Screening compound: 12-oxo-N-(1,3-thiazol-2-yl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide

C849-0590 Screening compound: 12-oxo-N-(1,3-thiazol-2-yl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
C849-0590 Screening compound: 12-oxo-N-(1,3-thiazol-2-yl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C849-0590
12-oxo-N-(1,3-thiazol-2-yl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide

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

C849-0590

Molecular Formula

C17H16N4O2S (C17 H16 N4 O2 S)

Compound Name

12-oxo-N-(1,3-thiazol-2-yl)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide

IUPAC name

n/a

SMILES

O=C(c(cc1)cc(N=C2N3CCCCC2)c1C3=O)Nc1nccs1

InChI

InChI=1S/C17H16N4O2S/c22-15(20-17-18-7-9-24-17)11-5-6-12-13(10-11)19-14-4-2-1-3-8-21(14)16(12)23/h5-7,9-10H,1-4,8H2,(H,18,20,22)

InChI Key

GPMNJQCSNSASOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06387881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.047

Distribution Coefficient, logD

2.012

Water Solubility, LogSw

-3.13

Polar Surface Area

60.289

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

C849-0590 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C849-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C849-0590?
Check Price and Availability of C849-0590, 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 C849-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C849-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C849-0590
  • 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 C849-0590 available by request