6049-2786 Screening compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide

6049-2786 Screening compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
6049-2786 Screening compound: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-2786
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-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

6049-2786

Molecular Formula

C24H22N2O3S (C24 H22 N2 O3 S)

Compound Name

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide

IUPAC name

N-(3-carbamoyl-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide

SMILES

CC(CC1)Cc2c1c(C(N)=O)c(NC(C1c(cccc3)c3Oc3c1cccc3)=O)s2

InChI

InChI=1S/C24H22N2O3S/c1-13-10-11-16-19(12-13)30-24(21(16)22(25)27)26-23(28)20-14-6-2-4-8-17(14)29-18-9-5-3-7-15(18)20/h2-9,13,20H,10-12H2,1H3,(H2,25,27)(H,26,28)/t13-/m1/s1

InChI Key

DGFWCGTXBUOZKN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03381228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

-2.822

Water Solubility, LogSw

-4.43

Polar Surface Area

63.917

Acid Dissociation Constant (pKa)

0.93

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

6049-2786 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6049-2786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-2786?
Check Price and Availability of 6049-2786, 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 6049-2786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-2786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-2786
  • 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 6049-2786 available by request