8018-2402 Screening compound: 3-(3,4,5-trimethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile

8018-2402 Screening compound: 3-(3,4,5-trimethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
8018-2402 Screening compound: 3-(3,4,5-trimethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2402
3-(3,4,5-trimethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile

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

8018-2402

Molecular Formula

C16H12N4O3 (C16 H12 N4 O3)

Compound Name

3-(3,4,5-trimethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile

IUPAC name

3-(345-trimethoxyphenyl)cyclopropane-1122-tetracarbonitrile

SMILES

COc1cc(C(C2(C#N)C#N)C2(C#N)C#N)cc(OC)c1OC

InChI

InChI=1S/C16H12N4O3/c1-21-11-4-10(5-12(22-2)13(11)23-3)14-15(6-17,7-18)16(14,8-19)9-20/h4-5,14H,1-3H3

InChI Key

PCDUYXLGIPIJQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00119199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.718

Distribution Coefficient, logD

1.718

Water Solubility, LogSw

-1.68

Polar Surface Area

91.693

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8018-2402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2402?
Check Price and Availability of 8018-2402, 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 8018-2402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2402
  • 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 8018-2402 available by request