F688-0076 Screening compound: 2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide

F688-0076 Screening compound: 2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide
F688-0076 Screening compound: 2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F688-0076
2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide

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

F688-0076

Molecular Formula

C22H20ClN5O3S (C22 H20 ClN5 O3 S)

Compound Name

2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-4-oxo-1,4-dihydroquinoline-6-carboxamide

IUPAC name

2-[({5-[(2-chlorophenoxy)methyl]-4-ethyl-4H-124-triazol-3-yl}sulfanyl)methyl]-4-oxo-14-dihydroquinoline-6-carboxamide

SMILES

CCn1c(SCC(Nc(cc2)c3cc2C(N)=O)=CC3=O)nnc1COc(cccc1)c1Cl

InChI

InChI=1S/C22H20ClN5O3S/c1-2-28-20(11-31-19-6-4-3-5-16(19)23)26-27-22(28)32-12-14-10-18(29)15-9-13(21(24)30)7-8-17(15)25-14/h3-10H,2,11-12H2,1H3,(H2,24,30)(H,25,29)

InChI Key

LPGBMJKKRPNCMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.051

Distribution Coefficient, logD

2.624

Water Solubility, LogSw

-3.63

Polar Surface Area

91.381

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with F688-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F688-0076?
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What is the minimum amount of F688-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F688-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F688-0076
  • 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 F688-0076 available by request