E882-0491 Screening compound: 3-(1,2,3,4-tetrahydroquinolin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

E882-0491 Screening compound: 3-(1,2,3,4-tetrahydroquinolin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
E882-0491 Screening compound: 3-(1,2,3,4-tetrahydroquinolin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-0491
3-(1,2,3,4-tetrahydroquinolin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

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

E882-0491

Molecular Formula

C22H21NO2 (C22 H21 NO2)

Compound Name

3-(1,2,3,4-tetrahydroquinolin-1-yl)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

IUPAC name

3-(1234-tetrahydroquinolin-1-yl)-4-(245-trimethylphenyl)cyclobut-3-ene-12-dione

SMILES

Cc(c(C)c1)cc(C)c1C(C(C1=O)=O)=C1N(CCC1)c2c1cccc2

InChI

InChI=1S/C22H21NO2/c1-13-11-15(3)17(12-14(13)2)19-20(22(25)21(19)24)23-10-6-8-16-7-4-5-9-18(16)23/h4-5,7,9,11-12H,6,8,10H2,1-3H3

InChI Key

YYDHPMNVPBPVSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.494

Distribution Coefficient, logD

5.494

Water Solubility, LogSw

-5.33

Polar Surface Area

28.818

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E882-0491 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E882-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-0491?
Check Price and Availability of E882-0491, 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 E882-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-0491
  • 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 E882-0491 available by request