8003-9308 Screening compound: N-[2-(benzyloxy)ethyl]-3,5-dinitrobenzamide

8003-9308 Screening compound: N-[2-(benzyloxy)ethyl]-3,5-dinitrobenzamide
8003-9308 Screening compound: N-[2-(benzyloxy)ethyl]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9308
N-[2-(benzyloxy)ethyl]-3,5-dinitrobenzamide

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

8003-9308

Molecular Formula

C16H15N3O6 (C16 H15 N3 O6)

Compound Name

N-[2-(benzyloxy)ethyl]-3,5-dinitrobenzamide

IUPAC name

N-[2-(benzyloxy)ethyl]-35-dinitrobenzamide

SMILES

[O-][N+](c1cc(C(NCCOCc2ccccc2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C16H15N3O6/c20-16(17-6-7-25-11-12-4-2-1-3-5-12)13-8-14(18(21)22)10-15(9-13)19(23)24/h1-5,8-10H,6-7,11H2,(H,17,20)

InChI Key

XGNVIROECIHYRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00374627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-2.91

Polar Surface Area

99.609

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8003-9308 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 8003-9308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9308?
Check Price and Availability of 8003-9308, 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 8003-9308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9308
  • 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 8003-9308 available by request