F699-0500 Screening compound: methyl 3-{1-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperidine-4-amido}thiophene-2-carboxylate

F699-0500 Screening compound: methyl 3-{1-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperidine-4-amido}thiophene-2-carboxylate
F699-0500 Screening compound: methyl 3-{1-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperidine-4-amido}thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F699-0500
methyl 3-{1-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperidine-4-amido}thiophene-2-carboxylate

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

F699-0500

Molecular Formula

C22H21FN4O4S (C22 H21 FN4 O4 S)

Compound Name

methyl 3-{1-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-3-yl]piperidine-4-amido}thiophene-2-carboxylate

IUPAC name

methyl 3-{1-[1-(4-fluorophenyl)-6-oxo-16-dihydropyridazin-3-yl]piperidine-4-amido}thiophene-2-carboxylate

SMILES

COC(c(scc1)c1NC(C(CC1)CCN1C(C=C1)=NN(c(cc2)ccc2F)C1=O)=O)=O

InChI

InChI=1S/C22H21FN4O4S/c1-31-22(30)20-17(10-13-32-20)24-21(29)14-8-11-26(12-9-14)18-6-7-19(28)27(25-18)16-4-2-15(23)3-5-16/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,24,29)

InChI Key

QNYGCRXSHZSENE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27185939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.546

Distribution Coefficient, logD

2.409

Water Solubility, LogSw

-2.87

Polar Surface Area

75.290

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F699-0500 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with F699-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F699-0500?
Check Price and Availability of F699-0500, 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 F699-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F699-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F699-0500
  • 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 F699-0500 available by request