J038-0412 Screening compound: 4-{9-bromo-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}pyridine

J038-0412 Screening compound: 4-{9-bromo-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}pyridine
J038-0412 Screening compound: 4-{9-bromo-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound J038-0412
4-{9-bromo-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}pyridine

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

J038-0412

Molecular Formula

C17H17BrN2O (C17 H17 BrN2 O)

Compound Name

4-{9-bromo-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinolin-5-yl}pyridine

IUPAC name

4-[(4aS10bS)-9-bromo-2H3H4H4aH5H6H10bH-pyrano[32-c]quinolin-5-yl]pyridine

SMILES

Brc(cc1)cc([C@H]2OCCC[C@H]22)c1NC2c1ccncc1

InChI

InChI=1S/C17H17BrN2O/c18-12-3-4-15-14(10-12)17-13(2-1-9-21-17)16(20-15)11-5-7-19-8-6-11/h3-8,10,13,16-17,20H,1-2,9H2/t13-,16?,17+/m1/s1

InChI Key

QSRUXLXYUUZRAS-SCMQIHGUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.24

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.366

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.40

Polar Surface Area

30.258

Acid Dissociation Constant (pKa)

17.39

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.30

J038-0412 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J038-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J038-0412?
Check Price and Availability of J038-0412, 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 J038-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J038-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J038-0412
  • 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 J038-0412 available by request