6049-1405 Screening compound: 2,4-bis(propan-2-yl) 3-methyl-5-(1-oxo-1H-isochromene-3-amido)thiophene-2,4-dicarboxylate

6049-1405 Screening compound: 2,4-bis(propan-2-yl) 3-methyl-5-(1-oxo-1H-isochromene-3-amido)thiophene-2,4-dicarboxylate
6049-1405 Screening compound: 2,4-bis(propan-2-yl) 3-methyl-5-(1-oxo-1H-isochromene-3-amido)thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1405
2,4-bis(propan-2-yl) 3-methyl-5-(1-oxo-1H-isochromene-3-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

6049-1405

Molecular Formula

C23H23NO7S (C23 H23 NO7 S)

Compound Name

2,4-bis(propan-2-yl) 3-methyl-5-(1-oxo-1H-isochromene-3-amido)thiophene-2,4-dicarboxylate

IUPAC name

24-bis(propan-2-yl) 3-methyl-5-(1-oxo-1H-isochromene-3-amido)thiophene-24-dicarboxylate

SMILES

CC(C)OC(c1c(NC(C(O2)=Cc(cccc3)c3C2=O)=O)sc(C(OC(C)C)=O)c1C)=O

InChI

InChI=1S/C23H23NO7S/c1-11(2)29-22(27)17-13(5)18(23(28)30-12(3)4)32-20(17)24-19(25)16-10-14-8-6-7-9-15(14)21(26)31-16/h6-12H,1-5H3,(H,24,25)

InChI Key

IPZZNYNMIPWCLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01835594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.460

Distribution Coefficient, logD

0.672

Water Solubility, LogSw

-4.54

Polar Surface Area

86.396

Acid Dissociation Constant (pKa)

3.61

Base Dissociation Constant (pKb)

-8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

6049-1405 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6049-1405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1405?
Check Price and Availability of 6049-1405, 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 6049-1405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1405
  • 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 6049-1405 available by request