G751-4406 Screening compound: N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

G751-4406 Screening compound: N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
G751-4406 Screening compound: N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-4406
N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

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

G751-4406

Molecular Formula

C19H12ClFN4O2S2 (C19 H12 ClFN4 O2 S2)

Compound Name

N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide

IUPAC name

N-(5-{[(8-chloro-4-oxo-14-dihydroquinolin-2-yl)methyl]sulfanyl}-134-thiadiazol-2-yl)-4-fluorobenzamide

SMILES

O=C(c(cc1)ccc1F)Nc1nnc(SCC(Nc(c2ccc3)c3Cl)=CC2=O)s1

InChI

InChI=1S/C19H12ClFN4O2S2/c20-14-3-1-2-13-15(26)8-12(22-16(13)14)9-28-19-25-24-18(29-19)23-17(27)10-4-6-11(21)7-5-10/h1-8H,9H2,(H,22,26)(H,23,24,27)

InChI Key

CPWBITVAYKCOPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.528

Water Solubility, LogSw

-4.98

Polar Surface Area

68.507

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with G751-4406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-4406?
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What is the minimum amount of G751-4406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-4406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-4406
  • 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 G751-4406 available by request