C797-1624 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

C797-1624 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one
C797-1624 Screening compound: 2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1624
2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-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

C797-1624

Molecular Formula

C17H16N4O2S (C17 H16 N4 O2 S)

Compound Name

2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}-1-(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

IUPAC name

2-{3H-imidazo[45-b]pyridin-2-ylsulfanyl}-1-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)ethan-1-one

SMILES

Cc(cc1)cc2c1OCCN2C(CSc([nH]1)nc2c1nccc2)=O

InChI

InChI=1S/C17H16N4O2S/c1-11-4-5-14-13(9-11)21(7-8-23-14)15(22)10-24-17-19-12-3-2-6-18-16(12)20-17/h2-6,9H,7-8,10H2,1H3,(H,18,19,20)

InChI Key

RMRKCBOCGHPTEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798823

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

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.223

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-2.64

Polar Surface Area

51.362

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C797-1624 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Purinergic Library (3321 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-1624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1624?
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What is the minimum amount of C797-1624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1624
  • 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 C797-1624 available by request