F080-1336 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-amine

F080-1336 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-amine
F080-1336 Screening compound: N-(5-chloro-2,4-dimethoxyphenyl)-6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F080-1336
N-(5-chloro-2,4-dimethoxyphenyl)-6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-amine

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

F080-1336

Molecular Formula

C22H21ClFN3O3 (C22 H21 ClFN3 O3)

Compound Name

N-(5-chloro-2,4-dimethoxyphenyl)-6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-amine

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-amine

SMILES

COc(c(Nc(c1cc(F)ccc1nc1)c1C(N1CCCC1)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C22H21ClFN3O3/c1-29-19-11-20(30-2)18(10-16(19)23)26-21-14-9-13(24)5-6-17(14)25-12-15(21)22(28)27-7-3-4-8-27/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,25,26)

InChI Key

KWUBTGZTHBCGKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27099988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.51

Polar Surface Area

48.185

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F080-1336 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F080-1336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F080-1336?
Check Price and Availability of F080-1336, 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 F080-1336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F080-1336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F080-1336
  • 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 F080-1336 available by request