8016-8970 Screening compound: 6-(3-bromobenzoyl)-7-nitro-2,3-dihydro-1,4-benzodioxine

8016-8970 Screening compound: 6-(3-bromobenzoyl)-7-nitro-2,3-dihydro-1,4-benzodioxine
8016-8970 Screening compound: 6-(3-bromobenzoyl)-7-nitro-2,3-dihydro-1,4-benzodioxine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8970
6-(3-bromobenzoyl)-7-nitro-2,3-dihydro-1,4-benzodioxine

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

8016-8970

Molecular Formula

C15H10BrNO5 (C15 H10 BrNO5)

Compound Name

6-(3-bromobenzoyl)-7-nitro-2,3-dihydro-1,4-benzodioxine

IUPAC name

6-(3-bromobenzoyl)-7-nitro-23-dihydro-14-benzodioxine

SMILES

[O-][N+](c(cc1OCCOc1c1)c1C(c1cccc(Br)c1)=O)=O

InChI

InChI=1S/C15H10BrNO5/c16-10-3-1-2-9(6-10)15(18)11-7-13-14(22-5-4-21-13)8-12(11)17(19)20/h1-3,6-8H,4-5H2

InChI Key

CTLFBUKXTDDRJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.67

Polar Surface Area

62.609

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8016-8970 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 8016-8970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8970?
Check Price and Availability of 8016-8970, 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 8016-8970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8970
  • 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 8016-8970 available by request