6048-0199 Screening compound: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate

6048-0199 Screening compound: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate
6048-0199 Screening compound: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0199
propan-2-yl 5-(diethylcarbamoyl)-4-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

6048-0199

Molecular Formula

C28H30N2O5S (C28 H30 N2 O5 S)

Compound Name

propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate

IUPAC name

propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-(9H-xanthene-9-amido)thiophene-3-carboxylate

SMILES

CCN(CC)C(c1c(C)c(C(OC(C)C)=O)c(NC(C2c(cccc3)c3Oc3c2cccc3)=O)s1)=O

InChI

InChI=1S/C28H30N2O5S/c1-6-30(7-2)27(32)24-17(5)22(28(33)34-16(3)4)26(36-24)29-25(31)23-18-12-8-10-14-20(18)35-21-15-11-9-13-19(21)23/h8-16,23H,6-7H2,1-5H3,(H,29,31)

InChI Key

HGLNLQQZOCAPIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03367158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.015

Distribution Coefficient, logD

-1.455

Water Solubility, LogSw

-4.79

Polar Surface Area

66.302

Acid Dissociation Constant (pKa)

0.93

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

6048-0199 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 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 6048-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0199?
Check Price and Availability of 6048-0199, 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 6048-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0199
  • 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 6048-0199 available by request