Y030-0778 Screening compound: N,N-bis(cyanomethyl)-2,4,6-trimethylbenzene-1-sulfonamide

Y030-0778 Screening compound: N,N-bis(cyanomethyl)-2,4,6-trimethylbenzene-1-sulfonamide
Y030-0778 Screening compound: N,N-bis(cyanomethyl)-2,4,6-trimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-0778
N,N-bis(cyanomethyl)-2,4,6-trimethylbenzene-1-sulfonamide

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

Y030-0778

Molecular Formula

C13H15N3O2S (C13 H15 N3 O2 S)

Compound Name

N,N-bis(cyanomethyl)-2,4,6-trimethylbenzene-1-sulfonamide

IUPAC name

NN-bis(cyanomethyl)-246-trimethylbenzene-1-sulfonamide

SMILES

Cc(cc1C)cc(C)c1S(N(CC#N)CC#N)(=O)=O

InChI

InChI=1S/C13H15N3O2S/c1-10-8-11(2)13(12(3)9-10)19(17,18)16(6-4-14)7-5-15/h8-9H,6-7H2,1-3H3

InChI Key

UDCSPCAKEKBQGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.928

Distribution Coefficient, logD

1.928

Water Solubility, LogSw

-2.09

Polar Surface Area

66.826

Acid Dissociation Constant (pKa)

19.62

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

References: we are preparing a list of scientific research reports with Y030-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-0778?
Check Price and Availability of Y030-0778, 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 Y030-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-0778
  • 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 Y030-0778 available by request