F080-1176 Screening compound: ethyl 4-{[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate

F080-1176 Screening compound: ethyl 4-{[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
F080-1176 Screening compound: ethyl 4-{[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F080-1176
ethyl 4-{[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate

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

F080-1176

Molecular Formula

C23H22FN3O3S (C23 H22 FN3 O3 S)

Compound Name

ethyl 4-{[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate

IUPAC name

ethyl 4-{[6-fluoro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1Nc(c1cc(F)ccc1nc1)c1C(N1CCSCC1)=O)=O

InChI

InChI=1S/C23H22FN3O3S/c1-2-30-23(29)15-3-6-17(7-4-15)26-21-18-13-16(24)5-8-20(18)25-14-19(21)22(28)27-9-11-31-12-10-27/h3-8,13-14H,2,9-12H2,1H3,(H,25,26)

InChI Key

RDDCKOCQYTXHTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27099956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.038

Water Solubility, LogSw

-3.99

Polar Surface Area

54.010

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F080-1176 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F080-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F080-1176?
Check Price and Availability of F080-1176, 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 F080-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F080-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F080-1176
  • 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 F080-1176 available by request