G751-4469 Screening compound: N-(2-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide

G751-4469 Screening compound: N-(2-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide
G751-4469 Screening compound: N-(2-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-4469
N-(2-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide

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

G751-4469

Molecular Formula

C23H22ClN3O2S2 (C23 H22 ClN3 O2 S2)

Compound Name

N-(2-{[(8-chloro-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-ethylbutanamide

IUPAC name

N-(2-{[(8-chloro-4-oxo-14-dihydroquinolin-2-yl)methyl]sulfanyl}-13-benzothiazol-6-yl)-2-ethylbutanamide

SMILES

CCC(CC)C(Nc(cc1)cc2c1nc(SCC(Nc(c1ccc3)c3Cl)=CC1=O)s2)=O

InChI

InChI=1S/C23H22ClN3O2S2/c1-3-13(4-2)22(29)26-14-8-9-18-20(11-14)31-23(27-18)30-12-15-10-19(28)16-6-5-7-17(24)21(16)25-15/h5-11,13H,3-4,12H2,1-2H3,(H,25,28)(H,26,29)

InChI Key

GJTFBQHQSZNAAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.031

Distribution Coefficient, logD

5.782

Water Solubility, LogSw

-6.06

Polar Surface Area

54.954

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G751-4469 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G751-4469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-4469?
Check Price and Availability of G751-4469, 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 G751-4469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-4469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-4469
  • 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 G751-4469 available by request