8018-3446 Screening compound: N-(2-cyanocyclopent-1-en-1-yl)-3,4,5-triethoxybenzamide

8018-3446 Screening compound: N-(2-cyanocyclopent-1-en-1-yl)-3,4,5-triethoxybenzamide
8018-3446 Screening compound: N-(2-cyanocyclopent-1-en-1-yl)-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3446
N-(2-cyanocyclopent-1-en-1-yl)-3,4,5-triethoxybenzamide

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

8018-3446

Molecular Formula

C19H24N2O4 (C19 H24 N2 O4)

Compound Name

N-(2-cyanocyclopent-1-en-1-yl)-3,4,5-triethoxybenzamide

IUPAC name

N-(2-cyanocyclopent-1-en-1-yl)-345-triethoxybenzamide

SMILES

CCOc1cc(C(NC(CCC2)=C2C#N)=O)cc(OCC)c1OCC

InChI

InChI=1S/C19H24N2O4/c1-4-23-16-10-14(11-17(24-5-2)18(16)25-6-3)19(22)21-15-9-7-8-13(15)12-20/h10-11H,4-9H2,1-3H3,(H,21,22)

InChI Key

ISBFSDRVKSBHHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-2.99

Polar Surface Area

62.470

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with 8018-3446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3446?
Check Price and Availability of 8018-3446, 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 8018-3446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3446
  • 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 8018-3446 available by request