6048-0230 Screening compound: methyl 6-methyl-2-(9H-xanthene-9-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

6048-0230 Screening compound: methyl 6-methyl-2-(9H-xanthene-9-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
6048-0230 Screening compound: methyl 6-methyl-2-(9H-xanthene-9-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0230
methyl 6-methyl-2-(9H-xanthene-9-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

6048-0230

Molecular Formula

C25H23NO4S (C25 H23 NO4 S)

Compound Name

methyl 6-methyl-2-(9H-xanthene-9-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 6-methyl-2-(9H-xanthene-9-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

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

InChI

InChI=1S/C25H23NO4S/c1-14-11-12-17-20(13-14)31-24(22(17)25(28)29-2)26-23(27)21-15-7-3-5-9-18(15)30-19-10-6-4-8-16(19)21/h3-10,14,21H,11-13H2,1-2H3,(H,26,27)/t14-/m1/s1

InChI Key

YRPOXCWHSFFVKE-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03375837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

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

5.412

Distribution Coefficient, logD

-1.059

Water Solubility, LogSw

-5.56

Polar Surface Area

51.032

Acid Dissociation Constant (pKa)

0.93

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

6048-0230 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6048-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0230?
Check Price and Availability of 6048-0230, 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 6048-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0230
  • 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 6048-0230 available by request