1190-0120 Screening compound: 4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)(methyl)amino]benzaldehyde

1190-0120 Screening compound: 4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)(methyl)amino]benzaldehyde
1190-0120 Screening compound: 4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)(methyl)amino]benzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 1190-0120
4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)(methyl)amino]benzaldehyde

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

1190-0120

Molecular Formula

C22H15NO3 (C22 H15 NO3)

Compound Name

4-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)(methyl)amino]benzaldehyde

IUPAC name

4-[(910-dioxo-910-dihydroanthracen-1-yl)(methyl)amino]benzaldehyde

SMILES

CN(c1ccc(C=O)cc1)c(cccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C22H15NO3/c1-23(15-11-9-14(13-24)10-12-15)19-8-4-7-18-20(19)22(26)17-6-3-2-5-16(17)21(18)25/h2-13H,1H3

InChI Key

AYHHBZFWUTUWGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01244860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.64

Polar Surface Area

42.212

Acid Dissociation Constant (pKa)

30.08

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

1190-0120 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1190-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1190-0120?
Check Price and Availability of 1190-0120, 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 1190-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1190-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1190-0120
  • 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 1190-0120 available by request