6048-0295 Screening compound: 2,4-bis(propan-2-yl) 3-methyl-5-(9H-xanthene-9-amido)thiophene-2,4-dicarboxylate

6048-0295 Screening compound: 2,4-bis(propan-2-yl) 3-methyl-5-(9H-xanthene-9-amido)thiophene-2,4-dicarboxylate
6048-0295 Screening compound: 2,4-bis(propan-2-yl) 3-methyl-5-(9H-xanthene-9-amido)thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0295
2,4-bis(propan-2-yl) 3-methyl-5-(9H-xanthene-9-amido)thiophene-2,4-dicarboxylate

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

6048-0295

Molecular Formula

C27H27NO6S (C27 H27 NO6 S)

Compound Name

2,4-bis(propan-2-yl) 3-methyl-5-(9H-xanthene-9-amido)thiophene-2,4-dicarboxylate

IUPAC name

24-bis(propan-2-yl) 3-methyl-5-(9H-xanthene-9-amido)thiophene-24-dicarboxylate

SMILES

CC(C)OC(c1c(NC(C2c(cccc3)c3Oc3c2cccc3)=O)sc(C(OC(C)C)=O)c1C)=O

InChI

InChI=1S/C27H27NO6S/c1-14(2)32-26(30)21-16(5)23(27(31)33-15(3)4)35-25(21)28-24(29)22-17-10-6-8-12-19(17)34-20-13-9-7-11-18(20)22/h6-15,22H,1-5H3,(H,28,29)

InChI Key

FWSYQRVRUUSFMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03383004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.680

Distribution Coefficient, logD

-0.791

Water Solubility, LogSw

-5.71

Polar Surface Area

70.803

Acid Dissociation Constant (pKa)

0.93

Base Dissociation Constant (pKb)

-6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

6048-0295 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

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

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

References: we are preparing a list of scientific research reports with 6048-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0295?
Check Price and Availability of 6048-0295, 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 6048-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0295
  • 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 6048-0295 available by request