D719-0007 Screening compound: 5,7-diethyl 2-benzyl-1,3-dimethyl-6-oxo-2H,6H-cyclohepta[c]pyrrole-5,7-dicarboxylate

D719-0007 Screening compound: 5,7-diethyl 2-benzyl-1,3-dimethyl-6-oxo-2H,6H-cyclohepta[c]pyrrole-5,7-dicarboxylate
D719-0007 Screening compound: 5,7-diethyl 2-benzyl-1,3-dimethyl-6-oxo-2H,6H-cyclohepta[c]pyrrole-5,7-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D719-0007
5,7-diethyl 2-benzyl-1,3-dimethyl-6-oxo-2H,6H-cyclohepta[c]pyrrole-5,7-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

D719-0007

Molecular Formula

C24H25NO5 (C24 H25 NO5)

Compound Name

5,7-diethyl 2-benzyl-1,3-dimethyl-6-oxo-2H,6H-cyclohepta[c]pyrrole-5,7-dicarboxylate

IUPAC name

57-diethyl 2-benzyl-13-dimethyl-6-oxo-2H6H-cyclohepta[c]pyrrole-57-dicarboxylate

SMILES

CCOC(C1=Cc2c(C)n(Cc3ccccc3)c(C)c2C=C(C(OCC)=O)C1=O)=O

InChI

InChI=1S/C24H25NO5/c1-5-29-23(27)20-12-18-15(3)25(14-17-10-8-7-9-11-17)16(4)19(18)13-21(22(20)26)24(28)30-6-2/h7-13H,5-6,14H2,1-4H3

InChI Key

ROXWSOILHDISHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03707365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.057

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-4.05

Polar Surface Area

56.841

Acid Dissociation Constant (pKa)

27.25

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D719-0007 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D719-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D719-0007?
Check Price and Availability of D719-0007, 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 D719-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D719-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D719-0007
  • 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 D719-0007 available by request