5594-2775 Screening compound: 2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

5594-2775 Screening compound: 2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
5594-2775 Screening compound: 2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2775
2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

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

5594-2775

Molecular Formula

C25H22N2O5 (C25 H22 N2 O5)

Compound Name

2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-9-yl)ethyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate

IUPAC name

2-oxo-2-(2349-tetrahydro-1H-carbazol-9-yl)ethyl 2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanoate

SMILES

CC(C(OCC(n1c(cccc2)c2c2c1CCCC2)=O)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C25H22N2O5/c1-15(26-23(29)18-10-2-3-11-19(18)24(26)30)25(31)32-14-22(28)27-20-12-6-4-8-16(20)17-9-5-7-13-21(17)27/h2-4,6,8,10-12,15H,5,7,9,13-14H2,1H3/t15-/m0/s1

InChI Key

PQWVBLIIEZIHDS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03009401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.84

Polar Surface Area

64.751

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

5594-2775 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 5594-2775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2775?
Check Price and Availability of 5594-2775, 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 5594-2775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2775
  • 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 5594-2775 available by request