3132-1600 Screening compound: 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile

3132-1600 Screening compound: 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile
3132-1600 Screening compound: 2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3132-1600
2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile

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

3132-1600

Molecular Formula

C20H12F3N3O2 (C20 H12 F3 N3 O2)

Compound Name

2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H,6H-pyrano[3,2-c]quinoline-3-carbonitrile

IUPAC name

2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H5H6H-pyrano[32-c]quinoline-3-carbonitrile

SMILES

NC(OC(c(cccc1)c1N1)=C(C2c3c(C(F)(F)F)cccc3)C1=O)=C2C#N

InChI

InChI=1S/C20H12F3N3O2/c21-20(22,23)13-7-3-1-5-10(13)15-12(9-24)18(25)28-17-11-6-2-4-8-14(11)26-19(27)16(15)17/h1-8,15H,25H2,(H,26,27)/t15-/m1/s1

InChI Key

YMBGFWITMIJRFA-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01834084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.299

Distribution Coefficient, logD

3.299

Water Solubility, LogSw

-4.01

Polar Surface Area

71.656

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

3132-1600 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3132-1600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3132-1600?
Check Price and Availability of 3132-1600, 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 3132-1600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3132-1600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3132-1600
  • 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 3132-1600 available by request