3660-0325 Screening compound: N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-amine

3660-0325 Screening compound: N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-amine
3660-0325 Screening compound: N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0325
N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-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

3660-0325

Molecular Formula

C13H10N4O3 (C13 H10 N4 O3)

Compound Name

N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-amine

IUPAC name

N-benzyl-4-nitro-213-benzoxadiazol-5-amine

SMILES

[O-][N+](c(c1nonc1cc1)c1NCc1ccccc1)=O

InChI

InChI=1S/C13H10N4O3/c18-17(19)13-11(7-6-10-12(13)16-20-15-10)14-8-9-4-2-1-3-5-9/h1-7,14H,8H2

InChI Key

HINIVJQEMAJGJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00429436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-3.56

Polar Surface Area

78.645

Acid Dissociation Constant (pKa)

13.65

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

3660-0325 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3660-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0325?
Check Price and Availability of 3660-0325, 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 3660-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0325
  • 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 3660-0325 available by request