2360-0111 Screening compound: 4-(4-bromo-2-nitrophenyl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

2360-0111 Screening compound: 4-(4-bromo-2-nitrophenyl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
2360-0111 Screening compound: 4-(4-bromo-2-nitrophenyl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2360-0111
4-(4-bromo-2-nitrophenyl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

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

2360-0111

Molecular Formula

C15H11BrN2O5 (C15 H11 BrN2 O5)

Compound Name

4-(4-bromo-2-nitrophenyl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione

IUPAC name

4-(4-bromo-2-nitrophenyl)-1-methyl-10-oxa-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-35-dione

SMILES

CC1(C(C2C(N3c(ccc(Br)c4)c4[N+]([O-])=O)=O)C3=O)OC2C=C1

InChI

InChI=1S/C15H11BrN2O5/c1-15-5-4-10(23-15)11-12(15)14(20)17(13(11)19)8-3-2-7(16)6-9(8)18(21)22/h2-6,10-12H,1H3

InChI Key

JBSZXUDUTUYYNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00301179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.17

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.951

Water Solubility, LogSw

-2.35

Polar Surface Area

69.581

Acid Dissociation Constant (pKa)

16.72

Base Dissociation Constant (pKb)

-10.98

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.30

2360-0111 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2360-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2360-0111?
Check Price and Availability of 2360-0111, 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 2360-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2360-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2360-0111
  • 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 2360-0111 available by request