1300-0354 Screening compound: 4-acetyl-N,N-bis(2-cyanoethyl)benzene-1-sulfonamide

1300-0354 Screening compound: 4-acetyl-N,N-bis(2-cyanoethyl)benzene-1-sulfonamide
1300-0354 Screening compound: 4-acetyl-N,N-bis(2-cyanoethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1300-0354
4-acetyl-N,N-bis(2-cyanoethyl)benzene-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

1300-0354

Molecular Formula

C14H15N3O3S (C14 H15 N3 O3 S)

Compound Name

4-acetyl-N,N-bis(2-cyanoethyl)benzene-1-sulfonamide

IUPAC name

4-acetyl-NN-bis(2-cyanoethyl)benzene-1-sulfonamide

SMILES

CC(c(cc1)ccc1S(N(CCC#N)CCC#N)(=O)=O)=O

InChI

InChI=1S/C14H15N3O3S/c1-12(18)13-4-6-14(7-5-13)21(19,20)17(10-2-8-15)11-3-9-16/h4-7H,2-3,10-11H2,1H3

InChI Key

XHOWFGLALWEEDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00724042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.426

Distribution Coefficient, logD

0.426

Water Solubility, LogSw

-2.19

Polar Surface Area

80.653

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

1300-0354 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1300-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1300-0354?
Check Price and Availability of 1300-0354, 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 1300-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1300-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1300-0354
  • 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 1300-0354 available by request