3447-0212 Screening compound: 1,3-diethyl 2-(3-oxo-2,3-dihydro-1H-indol-2-ylidene)propanedioate

3447-0212 Screening compound: 1,3-diethyl 2-(3-oxo-2,3-dihydro-1H-indol-2-ylidene)propanedioate
3447-0212 Screening compound: 1,3-diethyl 2-(3-oxo-2,3-dihydro-1H-indol-2-ylidene)propanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3447-0212
1,3-diethyl 2-(3-oxo-2,3-dihydro-1H-indol-2-ylidene)propanedioate

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

3447-0212

Molecular Formula

C15H15NO5 (C15 H15 NO5)

Compound Name

1,3-diethyl 2-(3-oxo-2,3-dihydro-1H-indol-2-ylidene)propanedioate

IUPAC name

13-diethyl 2-(3-oxo-23-dihydro-1H-indol-2-ylidene)propanedioate

SMILES

CCOC(C(C(OCC)=O)=C1Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C15H15NO5/c1-3-20-14(18)11(15(19)21-4-2)12-13(17)9-7-5-6-8-10(9)16-12/h5-8,16H,3-4H2,1-2H3

InChI Key

DCHVBIYTAAXWSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02733134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.966

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.55

Polar Surface Area

66.858

Acid Dissociation Constant (pKa)

7.65

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

3447-0212 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3447-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3447-0212?
Check Price and Availability of 3447-0212, 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 3447-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3447-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3447-0212
  • 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 3447-0212 available by request