3257-3053 Screening compound: 4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile

3257-3053 Screening compound: 4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
3257-3053 Screening compound: 4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-3053
4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile

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

3257-3053

Molecular Formula

C14H14N4O2 (C14 H14 N4 O2)

Compound Name

4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile

IUPAC name

4-(azepan-1-yl)-5-nitrobenzene-12-dicarbonitrile

SMILES

N#Cc(c(C#N)c1)cc(N2CCCCCC2)c1[N+]([O-])=O

InChI

InChI=1S/C14H14N4O2/c15-9-11-7-13(17-5-3-1-2-4-6-17)14(18(19)20)8-12(11)10-16/h7-8H,1-6H2

InChI Key

KEIGMHXWPAWQCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01883316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.958

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-3.62

Polar Surface Area

70.914

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3257-3053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-3053?
Check Price and Availability of 3257-3053, 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 3257-3053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-3053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-3053
  • 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 3257-3053 available by request