1582-0006 Screening compound: N-(2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

1582-0006 Screening compound: N-(2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
1582-0006 Screening compound: N-(2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1582-0006
N-(2-methyl-4-nitrophenyl)-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

1582-0006

Molecular Formula

C13H9N5O5 (C13 H9 N5 O5)

Compound Name

N-(2-methyl-4-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine

IUPAC name

N-(2-methyl-4-nitrophenyl)-4-nitro-213-benzoxadiazol-5-amine

SMILES

Cc(cc(cc1)[N+]([O-])=O)c1Nc(ccc1nonc11)c1[N+]([O-])=O

InChI

InChI=1S/C13H9N5O5/c1-7-6-8(17(19)20)2-3-9(7)14-11-5-4-10-12(16-23-15-10)13(11)18(21)22/h2-6,14H,1H3

InChI Key

YNJKUSRIRXSYLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00576819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.25

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.51

Polar Surface Area

110.006

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

1582-0006 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1582-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1582-0006?
Check Price and Availability of 1582-0006, 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 1582-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1582-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1582-0006
  • 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 1582-0006 available by request