5122-2921 Screening compound: (4E)-4-{[(4-ethoxyphenyl)amino]methylidene}-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione

5122-2921 Screening compound: (4E)-4-{[(4-ethoxyphenyl)amino]methylidene}-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
5122-2921 Screening compound: (4E)-4-{[(4-ethoxyphenyl)amino]methylidene}-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5122-2921
(4E)-4-{[(4-ethoxyphenyl)amino]methylidene}-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-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

5122-2921

Molecular Formula

C25H22N2O4 (C25 H22 N2 O4)

Compound Name

(4E)-4-{[(4-ethoxyphenyl)amino]methylidene}-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione

IUPAC name

(4E)-4-{[(4-ethoxyphenyl)amino]methylidene}-2-(4-methoxyphenyl)-1234-tetrahydroisoquinoline-13-dione

SMILES

CCOc(cc1)ccc1N/C=C(\c(cccc1)c1C(N1c(cc2)ccc2OC)=O)/C1=O

InChI

InChI=1S/C25H22N2O4/c1-3-31-20-12-8-17(9-13-20)26-16-23-21-6-4-5-7-22(21)24(28)27(25(23)29)18-10-14-19(30-2)15-11-18/h4-16,26H,3H2,1-2H3

InChI Key

UVUKVWPNNJPELT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.913

Distribution Coefficient, logD

3.913

Water Solubility, LogSw

-4.06

Polar Surface Area

54.511

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 5122-2921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5122-2921?
Check Price and Availability of 5122-2921, 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 5122-2921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5122-2921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5122-2921
  • 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 5122-2921 available by request