G751-4059 Screening compound: N-(5-{[(5,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

G751-4059 Screening compound: N-(5-{[(5,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
G751-4059 Screening compound: N-(5-{[(5,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G751-4059
N-(5-{[(5,8-dimethyl-4-oxo-1,4-dihydroquinolin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

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

G751-4059

Molecular Formula

C21H24N4O2S2 (C21 H24 N4 O2 S2)

Compound Name

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

IUPAC name

N-(5-{[(58-dimethyl-4-oxo-14-dihydroquinolin-2-yl)methyl]sulfanyl}-134-thiadiazol-2-yl)cyclohexanecarboxamide

SMILES

Cc1ccc(C)c(NC(CSc2nnc(NC(C3CCCCC3)=O)s2)=C2)c1C2=O

InChI

InChI=1S/C21H24N4O2S2/c1-12-8-9-13(2)18-17(12)16(26)10-15(22-18)11-28-21-25-24-20(29-21)23-19(27)14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3,(H,22,26)(H,23,24,27)

InChI Key

FBNFPYZNHQMFFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15031700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.58

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

5.170

Distribution Coefficient, logD

5.136

Water Solubility, LogSw

-4.97

Polar Surface Area

68.699

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

G751-4059 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G751-4059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G751-4059?
Check Price and Availability of G751-4059, 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 G751-4059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G751-4059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G751-4059
  • 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 G751-4059 available by request