3257-3036 Screening compound: 4-(morpholin-4-yl)-3-nitrobenzonitrile

3257-3036 Screening compound: 4-(morpholin-4-yl)-3-nitrobenzonitrile
3257-3036 Screening compound: 4-(morpholin-4-yl)-3-nitrobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3257-3036
4-(morpholin-4-yl)-3-nitrobenzonitrile

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

3257-3036

Molecular Formula

C11H11N3O3 (C11 H11 N3 O3)

Compound Name

4-(morpholin-4-yl)-3-nitrobenzonitrile

IUPAC name

4-(morpholin-4-yl)-3-nitrobenzonitrile

SMILES

N#Cc(cc1)cc([N+]([O-])=O)c1N1CCOCC1

InChI

InChI=1S/C11H11N3O3/c12-8-9-1-2-10(11(7-9)14(15)16)13-3-5-17-6-4-13/h1-2,7H,3-6H2

InChI Key

QXNHTFMTMLNJPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00120467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-1.99

Polar Surface Area

61.435

Acid Dissociation Constant (pKa)

28.26

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

3257-3036 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3257-3036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3257-3036?
Check Price and Availability of 3257-3036, 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 3257-3036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3257-3036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3257-3036
  • 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 3257-3036 available by request