6048-0261 Screening compound: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide

6048-0261 Screening compound: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
6048-0261 Screening compound: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0261
N-(3-cyano-6-ethyl-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

6048-0261

Molecular Formula

C25H22N2O2S (C25 H22 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H22N2O2S/c1-2-15-11-12-16-19(14-26)25(30-22(16)13-15)27-24(28)23-17-7-3-5-9-20(17)29-21-10-6-4-8-18(21)23/h3-10,15,23H,2,11-13H2,1H3,(H,27,28)/t15-/m1/s1

InChI Key

KQJMZGMPXVAGTP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03379536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.877

Distribution Coefficient, logD

-0.593

Water Solubility, LogSw

-5.73

Polar Surface Area

46.914

Acid Dissociation Constant (pKa)

0.93

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

6048-0261 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6048-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0261?
Check Price and Availability of 6048-0261, 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 6048-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0261
  • 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 6048-0261 available by request