C607-0754 Screening compound: methyl 4,5-dimethyl-2-(1-oxo-4-phenyl-1H-isochromene-3-amido)thiophene-3-carboxylate

C607-0754 Screening compound: methyl 4,5-dimethyl-2-(1-oxo-4-phenyl-1H-isochromene-3-amido)thiophene-3-carboxylate
C607-0754 Screening compound: methyl 4,5-dimethyl-2-(1-oxo-4-phenyl-1H-isochromene-3-amido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C607-0754
methyl 4,5-dimethyl-2-(1-oxo-4-phenyl-1H-isochromene-3-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

C607-0754

Molecular Formula

C24H19NO5S (C24 H19 NO5 S)

Compound Name

methyl 4,5-dimethyl-2-(1-oxo-4-phenyl-1H-isochromene-3-amido)thiophene-3-carboxylate

IUPAC name

methyl 45-dimethyl-2-(1-oxo-4-phenyl-1H-isochromene-3-amido)thiophene-3-carboxylate

SMILES

Cc1c(C)sc(NC(C(O2)=C(c3ccccc3)c(cccc3)c3C2=O)=O)c1C(OC)=O

InChI

InChI=1S/C24H19NO5S/c1-13-14(2)31-22(18(13)24(28)29-3)25-21(26)20-19(15-9-5-4-6-10-15)16-11-7-8-12-17(16)23(27)30-20/h4-12H,1-3H3,(H,25,26)

InChI Key

VNJADNSZYHVUNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.451

Distribution Coefficient, logD

1.456

Water Solubility, LogSw

-4.67

Polar Surface Area

65.027

Acid Dissociation Constant (pKa)

4.41

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C607-0754 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C607-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C607-0754?
Check Price and Availability of C607-0754, 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 C607-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C607-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C607-0754
  • 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 C607-0754 available by request