D256-0758 Screening compound: 1-methanesulfonyl-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

D256-0758 Screening compound: 1-methanesulfonyl-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
D256-0758 Screening compound: 1-methanesulfonyl-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D256-0758
1-methanesulfonyl-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

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

D256-0758

Molecular Formula

C18H17F3N2O3S (C18 H17 F3 N2 O3 S)

Compound Name

1-methanesulfonyl-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-methanesulfonyl-N-[3-(trifluoromethyl)phenyl]-1234-tetrahydroquinoline-6-carboxamide

SMILES

CS(N(CCC1)c(cc2)c1cc2C(Nc1cc(C(F)(F)F)ccc1)=O)(=O)=O

InChI

InChI=1S/C18H17F3N2O3S/c1-27(25,26)23-9-3-4-12-10-13(7-8-16(12)23)17(24)22-15-6-2-5-14(11-15)18(19,20)21/h2,5-8,10-11H,3-4,9H2,1H3,(H,22,24)

InChI Key

AKZGDTZRWAREED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07996710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.82

Polar Surface Area

54.246

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D256-0758 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 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
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D256-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D256-0758?
Check Price and Availability of D256-0758, 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 D256-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D256-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D256-0758
  • 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 D256-0758 available by request