Y031-1217 Screening compound: N,N-bis(cyanomethyl)-3-phenylmethanesulfonylpropanamide

Y031-1217 Screening compound: N,N-bis(cyanomethyl)-3-phenylmethanesulfonylpropanamide
Y031-1217 Screening compound: N,N-bis(cyanomethyl)-3-phenylmethanesulfonylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1217
N,N-bis(cyanomethyl)-3-phenylmethanesulfonylpropanamide

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

Y031-1217

Molecular Formula

C14H15N3O3S (C14 H15 N3 O3 S)

Compound Name

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

IUPAC name

NN-bis(cyanomethyl)-3-phenylmethanesulfonylpropanamide

SMILES

N#CCN(CC#N)C(CCS(Cc1ccccc1)(=O)=O)=O

InChI

InChI=1S/C14H15N3O3S/c15-7-9-17(10-8-16)14(18)6-11-21(19,20)12-13-4-2-1-3-5-13/h1-5H,6,9-12H2

InChI Key

FIMLVUULWSZFSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.623

Distribution Coefficient, logD

-0.623

Water Solubility, LogSw

-1.77

Polar Surface Area

79.434

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with Y031-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1217?
Check Price and Availability of Y031-1217, 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 Y031-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1217
  • 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 Y031-1217 available by request