6557-0076 Screening compound: ethyl 4-{8-ethoxy-1,3-dimethyl-4-oxo-2H,4H-cyclohepta[c]pyrrol-2-yl}benzoate

6557-0076 Screening compound: ethyl 4-{8-ethoxy-1,3-dimethyl-4-oxo-2H,4H-cyclohepta[c]pyrrol-2-yl}benzoate
6557-0076 Screening compound: ethyl 4-{8-ethoxy-1,3-dimethyl-4-oxo-2H,4H-cyclohepta[c]pyrrol-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0076
ethyl 4-{8-ethoxy-1,3-dimethyl-4-oxo-2H,4H-cyclohepta[c]pyrrol-2-yl}benzoate

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

6557-0076

Molecular Formula

C22H23NO4 (C22 H23 NO4)

Compound Name

ethyl 4-{8-ethoxy-1,3-dimethyl-4-oxo-2H,4H-cyclohepta[c]pyrrol-2-yl}benzoate

IUPAC name

ethyl 4-{8-ethoxy-13-dimethyl-4-oxo-2H4H-cyclohepta[c]pyrrol-2-yl}benzoate

SMILES

CCOC(c(cc1)ccc1-n(c(C)c12)c(C)c2C(OCC)=CC=CC1=O)=O

InChI

InChI=1S/C22H23NO4/c1-5-26-19-9-7-8-18(24)20-14(3)23(15(4)21(19)20)17-12-10-16(11-13-17)22(25)27-6-2/h7-13H,5-6H2,1-4H3

InChI Key

AEOPCSPQTFPYAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04146426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.41

Polar Surface Area

43.747

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 6557-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0076?
Check Price and Availability of 6557-0076, 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 6557-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0076
  • 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 6557-0076 available by request