Y030-9650 Screening compound: N,N-bis(2-cyanoethyl)-2H-1,3-benzodioxole-5-carboxamide

Y030-9650 Screening compound: N,N-bis(2-cyanoethyl)-2H-1,3-benzodioxole-5-carboxamide
Y030-9650 Screening compound: N,N-bis(2-cyanoethyl)-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9650
N,N-bis(2-cyanoethyl)-2H-1,3-benzodioxole-5-carboxamide

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

Y030-9650

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

N,N-bis(2-cyanoethyl)-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

NN-bis(2-cyanoethyl)-2H-13-benzodioxole-5-carboxamide

SMILES

N#CCCN(CCC#N)C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C14H13N3O3/c15-5-1-7-17(8-2-6-16)14(18)11-3-4-12-13(9-11)20-10-19-12/h3-4,9H,1-2,7-8,10H2

InChI Key

CWYIXTNDXYZBKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.185

Distribution Coefficient, logD

0.185

Water Solubility, LogSw

-1.49

Polar Surface Area

68.777

Acid Dissociation Constant (pKa)

21.83

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

Y030-9650 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y030-9650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9650?
Check Price and Availability of Y030-9650, 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 Y030-9650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9650
  • 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 Y030-9650 available by request