2714-0006 Screening compound: 13,13-diethyl-6-methyl-10-nitro-11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine

2714-0006 Screening compound: 13,13-diethyl-6-methyl-10-nitro-11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine
2714-0006 Screening compound: 13,13-diethyl-6-methyl-10-nitro-11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2714-0006
13,13-diethyl-6-methyl-10-nitro-11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine

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

2714-0006

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

13,13-diethyl-6-methyl-10-nitro-11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine

IUPAC name

88-diethyl-18-methyl-13-nitro-917-dioxa-1-azatetracyclo[8.8.0.0^{27}.0^{1116}]octadeca-2(7)3511(16)1214-hexaene

SMILES

CCC1(CC)OC(c(cc(cc2)[N+]([O-])=O)c2OC2C)N2c2c1cccc2

InChI

InChI=1S/C20H22N2O4/c1-4-20(5-2)16-8-6-7-9-17(16)21-13(3)25-18-11-10-14(22(23)24)12-15(18)19(21)26-20/h6-13,19H,4-5H2,1-3H3

InChI Key

VCQQTGZTHRRFRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.137

Distribution Coefficient, logD

5.137

Water Solubility, LogSw

-5.04

Polar Surface Area

49.744

Acid Dissociation Constant (pKa)

22.06

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

2714-0006 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 2714-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2714-0006?
Check Price and Availability of 2714-0006, 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 2714-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2714-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2714-0006
  • 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 2714-0006 available by request