G751-4444 Screening compound: N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide

G751-4444 Screening compound: N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide
G751-4444 Screening compound: N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-4444
N-(5-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-ethoxybenzamide

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

G751-4444

Molecular Formula

C21H17ClN4O3S2 (C21 H17 ClN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(Nc1nnc(SCC(Nc(c2ccc3)c3Cl)=CC2=O)s1)=O

InChI

InChI=1S/C21H17ClN4O3S2/c1-2-29-14-8-6-12(7-9-14)19(28)24-20-25-26-21(31-20)30-11-13-10-17(27)15-4-3-5-16(22)18(15)23-13/h3-10H,2,11H2,1H3,(H,23,27)(H,24,25,28)

InChI Key

GCFFDPINHSPFLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.159

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-5.41

Polar Surface Area

75.630

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with G751-4444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-4444?
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What is the minimum amount of G751-4444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-4444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-4444
  • 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 G751-4444 available by request