3509-0066 Screening compound: methyl 2-cyano-2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetate

3509-0066 Screening compound: methyl 2-cyano-2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetate
3509-0066 Screening compound: methyl 2-cyano-2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3509-0066
methyl 2-cyano-2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetate

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

3509-0066

Molecular Formula

C12H8N2O3 (C12 H8 N2 O3)

Compound Name

methyl 2-cyano-2-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]acetate

IUPAC name

methyl 2-cyano-2-[(3Z)-2-oxo-23-dihydro-1H-indol-3-ylidene]acetate

SMILES

COC(/C(/C#N)=C(/c(cccc1)c1N1)\C1=O)=O

InChI

InChI=1S/C12H8N2O3/c1-17-12(16)8(6-13)10-7-4-2-3-5-9(7)14-11(10)15/h2-5H,1H3,(H,14,15)

InChI Key

JGRPHENITJTVGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01056349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.226

Distribution Coefficient, logD

1.225

Water Solubility, LogSw

-2.17

Polar Surface Area

63.712

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3509-0066 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3509-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3509-0066?
Check Price and Availability of 3509-0066, 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 3509-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3509-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3509-0066
  • 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 3509-0066 available by request