Y030-0557 Screening compound: N,N-bis(cyanomethyl)-3-methylbenzamide

Y030-0557 Screening compound: N,N-bis(cyanomethyl)-3-methylbenzamide
Y030-0557 Screening compound: N,N-bis(cyanomethyl)-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-0557
N,N-bis(cyanomethyl)-3-methylbenzamide

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

Y030-0557

Molecular Formula

C12H11N3O (C12 H11 N3 O)

Compound Name

N,N-bis(cyanomethyl)-3-methylbenzamide

IUPAC name

NN-bis(cyanomethyl)-3-methylbenzamide

SMILES

Cc1cccc(C(N(CC#N)CC#N)=O)c1

InChI

InChI=1S/C12H11N3O/c1-10-3-2-4-11(9-10)12(16)15(7-5-13)8-6-14/h2-4,9H,7-8H2,1H3

InChI Key

GSPAQYYQWZCQHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

213.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.700

Distribution Coefficient, logD

0.700

Water Solubility, LogSw

-1.55

Polar Surface Area

51.661

Acid Dissociation Constant (pKa)

23.09

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y030-0557 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 Y030-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-0557?
Check Price and Availability of Y030-0557, 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 Y030-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-0557
  • 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 Y030-0557 available by request