6049-1519 Screening compound: ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate

6049-1519 Screening compound: ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate
6049-1519 Screening compound: ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1519
ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-amido)thiophene-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

6049-1519

Molecular Formula

C24H23NO4S (C24 H23 NO4 S)

Compound Name

ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate

IUPAC name

ethyl 4-ethyl-5-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate

SMILES

CCc1c(C)sc(NC(C2c(cccc3)c3Oc3c2cccc3)=O)c1C(OCC)=O

InChI

InChI=1S/C24H23NO4S/c1-4-15-14(3)30-23(21(15)24(27)28-5-2)25-22(26)20-16-10-6-8-12-18(16)29-19-13-9-7-11-17(19)20/h6-13,20H,4-5H2,1-3H3,(H,25,26)

InChI Key

TWHZSYKTDWNIKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01648119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.391

Distribution Coefficient, logD

-1.080

Water Solubility, LogSw

-5.58

Polar Surface Area

50.691

Acid Dissociation Constant (pKa)

0.93

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6049-1519 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6049-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1519?
Check Price and Availability of 6049-1519, 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 6049-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1519
  • 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 6049-1519 available by request