G751-5418 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide

G751-5418 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide
G751-5418 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-5418
N-(3-chloro-4-fluorophenyl)-2-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide

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

G751-5418

Molecular Formula

C18H13ClF2N2O2S (C18 H13 ClF2 N2 O2 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-2-{[(8-fluoro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{[(8-fluoro-4-oxo-14-dihydroquinolin-2-yl)methyl]sulfanyl}acetamide

SMILES

O=C(CSCC(Nc(c1ccc2)c2F)=CC1=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H13ClF2N2O2S/c19-13-6-10(4-5-14(13)20)22-17(25)9-26-8-11-7-16(24)12-2-1-3-15(21)18(12)23-11/h1-7H,8-9H2,(H,22,25)(H,23,24)

InChI Key

XZNQGSVVVBEKTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.227

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.58

Polar Surface Area

45.659

Acid Dissociation Constant (pKa)

7.46

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G751-5418 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G751-5418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-5418?
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What is the minimum amount of G751-5418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-5418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-5418
  • 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 G751-5418 available by request