8002-7451 Screening compound: 3,5-dinitro-N-(pyridin-4-yl)benzamide

8002-7451 Screening compound: 3,5-dinitro-N-(pyridin-4-yl)benzamide
8002-7451 Screening compound: 3,5-dinitro-N-(pyridin-4-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7451
3,5-dinitro-N-(pyridin-4-yl)benzamide

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

8002-7451

Molecular Formula

C12H8N4O5 (C12 H8 N4 O5)

Compound Name

3,5-dinitro-N-(pyridin-4-yl)benzamide

IUPAC name

35-dinitro-N-(pyridin-4-yl)benzamide

SMILES

[O-][N+](c1cc(C(Nc2ccncc2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C12H8N4O5/c17-12(14-9-1-3-13-4-2-9)8-5-10(15(18)19)7-11(6-8)16(20)21/h1-7H,(H,13,14,17)

InChI Key

NAILWVPUOVJVNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00414214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.22

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.806

Distribution Coefficient, logD

1.501

Water Solubility, LogSw

-2.02

Polar Surface Area

99.521

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8002-7451 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-7451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7451?
Check Price and Availability of 8002-7451, 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 8002-7451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7451
  • 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 8002-7451 available by request