8018-3242 Screening compound: ethyl (2,2,3,3-tetracyano-2'-oxospiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)acetate

8018-3242 Screening compound: ethyl (2,2,3,3-tetracyano-2'-oxospiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)acetate
8018-3242 Screening compound: ethyl (2,2,3,3-tetracyano-2'-oxospiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3242
ethyl (2,2,3,3-tetracyano-2'-oxospiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)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

8018-3242

Molecular Formula

C18H11N5O3 (C18 H11 N5 O3)

Compound Name

ethyl (2,2,3,3-tetracyano-2'-oxospiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)acetate

IUPAC name

n/a

SMILES

CCOC(CN(C(C1(C2(C#N)C#N)C2(C#N)C#N)=O)c2c1cccc2)=O

InChI

InChI=1S/C18H11N5O3/c1-2-26-14(24)7-23-13-6-4-3-5-12(13)18(15(23)25)16(8-19,9-20)17(18,10-21)11-22/h3-6H,2,7H2,1H3

InChI Key

QGTUNQSCIDXYCO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.362

Distribution Coefficient, logD

1.362

Water Solubility, LogSw

-2.32

Polar Surface Area

104.614

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8018-3242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3242?
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What is the minimum amount of 8018-3242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3242
  • 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 8018-3242 available by request