F688-0006 Screening compound: 2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide

F688-0006 Screening compound: 2-({[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide
F688-0006 Screening compound: 2-({[5-(4-methoxyphenyl)-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 F688-0006
2-({[5-(4-methoxyphenyl)-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

F688-0006

Molecular Formula

C20H17N5O3S (C20 H17 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c([nH]1)nnc1SCC(Nc(cc1)c2cc1C(N)=O)=CC2=O

InChI

InChI=1S/C20H17N5O3S/c1-28-14-5-2-11(3-6-14)19-23-20(25-24-19)29-10-13-9-17(26)15-8-12(18(21)27)4-7-16(15)22-13/h2-9H,10H2,1H3,(H2,21,27)(H,22,26)(H,23,24,25)

InChI Key

KTKQIRPWEZVDIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14962915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

1.060

Water Solubility, LogSw

-3.13

Polar Surface Area

98.871

Acid Dissociation Constant (pKa)

5.72

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F688-0006 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F688-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F688-0006?
Check Price and Availability of F688-0006, 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 F688-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F688-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F688-0006
  • 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 F688-0006 available by request