C378-0012 Screening compound: 1,3-dimethyl 5-(1-oxo-4-phenyl-1H-isochromene-3-amido)benzene-1,3-dicarboxylate

C378-0012 Screening compound: 1,3-dimethyl 5-(1-oxo-4-phenyl-1H-isochromene-3-amido)benzene-1,3-dicarboxylate
C378-0012 Screening compound: 1,3-dimethyl 5-(1-oxo-4-phenyl-1H-isochromene-3-amido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C378-0012
1,3-dimethyl 5-(1-oxo-4-phenyl-1H-isochromene-3-amido)benzene-1,3-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

C378-0012

Molecular Formula

C26H19NO7 (C26 H19 NO7)

Compound Name

1,3-dimethyl 5-(1-oxo-4-phenyl-1H-isochromene-3-amido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(1-oxo-4-phenyl-1H-isochromene-3-amido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(C(O2)=C(c3ccccc3)c(cccc3)c3C2=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C26H19NO7/c1-32-24(29)16-12-17(25(30)33-2)14-18(13-16)27-23(28)22-21(15-8-4-3-5-9-15)19-10-6-7-11-20(19)26(31)34-22/h3-14H,1-2H3,(H,27,28)

InChI Key

MVHNRXCCSFTCCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.661

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.70

Polar Surface Area

86.407

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

C378-0012 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C378-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C378-0012?
Check Price and Availability of C378-0012, 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 C378-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C378-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C378-0012
  • 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 C378-0012 available by request