4271-0008 Screening compound: N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitrobenzene-1-sulfonamide

4271-0008 Screening compound: N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitrobenzene-1-sulfonamide
4271-0008 Screening compound: N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitrobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4271-0008
N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitrobenzene-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

4271-0008

Molecular Formula

C13H17N3O5S (C13 H17 N3 O5 S)

Compound Name

N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitrobenzene-1-sulfonamide

IUPAC name

N-(2-cyanoethyl)-N-(3-methoxypropyl)-4-nitrobenzene-1-sulfonamide

SMILES

COCCCN(CCC#N)S(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C13H17N3O5S/c1-21-11-3-10-15(9-2-8-14)22(19,20)13-6-4-12(5-7-13)16(17)18/h4-7H,2-3,9-11H2,1H3

InChI Key

SDWDIRBPZIQZTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00401910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.363

Distribution Coefficient, logD

1.363

Water Solubility, LogSw

-2.28

Polar Surface Area

91.058

Acid Dissociation Constant (pKa)

22.00

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4271-0008 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4271-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4271-0008?
Check Price and Availability of 4271-0008, 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 4271-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4271-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4271-0008
  • 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 4271-0008 available by request