8006-2020 Screening compound: 4-nitro-2-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 3-bromobenzoate

8006-2020 Screening compound: 4-nitro-2-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 3-bromobenzoate
8006-2020 Screening compound: 4-nitro-2-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2020
4-nitro-2-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 3-bromobenzoate

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

8006-2020

Molecular Formula

C22H15BrN4O8 (C22 H15 BrN4 O8)

Compound Name

4-nitro-2-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 3-bromobenzoate

IUPAC name

4-nitro-2-[(E)-{[2-(2-nitrophenoxy)acetamido]imino}methyl]phenyl 3-bromobenzoate

SMILES

[O-][N+](c(cc1)cc(/C=N/NC(COc(cccc2)c2[N+]([O-])=O)=O)c1OC(c1cccc(Br)c1)=O)=O

InChI

InChI=1S/C22H15BrN4O8/c23-16-5-3-4-14(10-16)22(29)35-19-9-8-17(26(30)31)11-15(19)12-24-25-21(28)13-34-20-7-2-1-6-18(20)27(32)33/h1-12H,13H2,(H,25,28)

InChI Key

HCQNBZYPBIRRLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.29

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.60

Polar Surface Area

129.853

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8006-2020 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8006-2020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2020?
Check Price and Availability of 8006-2020, 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 8006-2020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2020
  • 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 8006-2020 available by request