G855-0612 Screening compound: methyl 4-{1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]piperidine-4-amido}benzoate

G855-0612 Screening compound: methyl 4-{1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]piperidine-4-amido}benzoate
G855-0612 Screening compound: methyl 4-{1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]piperidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G855-0612
methyl 4-{1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]piperidine-4-amido}benzoate

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

G855-0612

Molecular Formula

C25H29N3O6S (C25 H29 N3 O6 S)

Compound Name

methyl 4-{1-[(1-acetyl-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]piperidine-4-amido}benzoate

IUPAC name

methyl 4-{1-[(1-acetyl-1234-tetrahydroquinolin-6-yl)sulfonyl]piperidine-4-amido}benzoate

SMILES

CC(N(CCC1)c(cc2)c1cc2S(N(CC1)CCC1C(Nc(cc1)ccc1C(OC)=O)=O)(=O)=O)=O

InChI

InChI=1S/C25H29N3O6S/c1-17(29)28-13-3-4-20-16-22(9-10-23(20)28)35(32,33)27-14-11-18(12-15-27)24(30)26-21-7-5-19(6-8-21)25(31)34-2/h5-10,16,18H,3-4,11-15H2,1-2H3,(H,26,30)

InChI Key

WPRJZIGDAXSBLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.558

Water Solubility, LogSw

-3.00

Polar Surface Area

92.267

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G855-0612 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Integrin Receptors Targeted library (1715 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G855-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G855-0612?
Check Price and Availability of G855-0612, 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 G855-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G855-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G855-0612
  • 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 G855-0612 available by request