4057-0009 Screening compound: (2Z)-2-{[4-(dimethylamino)phenyl]methylidene}-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid

4057-0009 Screening compound: (2Z)-2-{[4-(dimethylamino)phenyl]methylidene}-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
4057-0009 Screening compound: (2Z)-2-{[4-(dimethylamino)phenyl]methylidene}-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4057-0009
(2Z)-2-{[4-(dimethylamino)phenyl]methylidene}-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid

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

4057-0009

Molecular Formula

C19H15NO4 (C19 H15 NO4)

Compound Name

(2Z)-2-{[4-(dimethylamino)phenyl]methylidene}-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid

IUPAC name

(2Z)-2-{[4-(dimethylamino)phenyl]methylidene}-13-dioxo-23-dihydro-1H-indene-5-carboxylic acid

SMILES

CN(C)c1ccc(/C=C(/C(c(cc2)c3cc2C(O)=O)=O)\C3=O)cc1

InChI

InChI=1S/C19H15NO4/c1-20(2)13-6-3-11(4-7-13)9-16-17(21)14-8-5-12(19(23)24)10-15(14)18(16)22/h3-10H,1-2H3,(H,23,24)

InChI Key

PSDHKAMWKYOVTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

-0.611

Water Solubility, LogSw

-3.97

Polar Surface Area

57.759

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 4057-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4057-0009?
Check Price and Availability of 4057-0009, 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 4057-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4057-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4057-0009
  • 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 4057-0009 available by request