F080-1293 Screening compound: methyl 4-{[6-chloro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate

F080-1293 Screening compound: methyl 4-{[6-chloro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate
F080-1293 Screening compound: methyl 4-{[6-chloro-3-(thiomorpholine-4-carbonyl)quinolin-4-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F080-1293
methyl 4-{[6-chloro-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

F080-1293

Molecular Formula

C22H20ClN3O3S (C22 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1Nc1c(cc(cc2)Cl)c2ncc1C(N1CCSCC1)=O)=O

InChI

InChI=1S/C22H20ClN3O3S/c1-29-22(28)14-2-5-16(6-3-14)25-20-17-12-15(23)4-7-19(17)24-13-18(20)21(27)26-8-10-30-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,24,25)

InChI Key

BAFADNZCJLNKLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27099979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-4.42

Polar Surface Area

54.430

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with F080-1293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F080-1293?
Check Price and Availability of F080-1293, 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 F080-1293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F080-1293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F080-1293
  • 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 F080-1293 available by request