3660-0336 Screening compound: N-ethyl-5-nitro-N-phenyl-2,1,3-benzoxadiazol-4-amine

3660-0336 Screening compound: N-ethyl-5-nitro-N-phenyl-2,1,3-benzoxadiazol-4-amine
3660-0336 Screening compound: N-ethyl-5-nitro-N-phenyl-2,1,3-benzoxadiazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0336
N-ethyl-5-nitro-N-phenyl-2,1,3-benzoxadiazol-4-amine

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

3660-0336

Molecular Formula

C14H12N4O3 (C14 H12 N4 O3)

Compound Name

N-ethyl-5-nitro-N-phenyl-2,1,3-benzoxadiazol-4-amine

IUPAC name

N-ethyl-5-nitro-N-phenyl-213-benzoxadiazol-4-amine

SMILES

CCN(c1ccccc1)c(c1nonc1cc1)c1[N+]([O-])=O

InChI

InChI=1S/C14H12N4O3/c1-2-17(10-6-4-3-5-7-10)14-12(18(19)20)9-8-11-13(14)16-21-15-11/h3-9H,2H2,1H3

InChI Key

NFMGYXVKWUEPQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.21

Polar Surface Area

70.958

Acid Dissociation Constant (pKa)

26.41

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3660-0336 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3660-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0336?
Check Price and Availability of 3660-0336, 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 3660-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0336
  • 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 3660-0336 available by request