8006-1899 Screening compound: 4-bromo-2-[(E)-({2-[(furan-2-yl)formamido]acetamido}imino)methyl]phenyl benzoate

8006-1899 Screening compound: 4-bromo-2-[(E)-({2-[(furan-2-yl)formamido]acetamido}imino)methyl]phenyl benzoate
8006-1899 Screening compound: 4-bromo-2-[(E)-({2-[(furan-2-yl)formamido]acetamido}imino)methyl]phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1899
4-bromo-2-[(E)-({2-[(furan-2-yl)formamido]acetamido}imino)methyl]phenyl benzoate

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

8006-1899

Molecular Formula

C21H16BrN3O5 (C21 H16 BrN3 O5)

Compound Name

4-bromo-2-[(E)-({2-[(furan-2-yl)formamido]acetamido}imino)methyl]phenyl benzoate

IUPAC name

4-bromo-2-[(E)-({2-[(furan-2-yl)formamido]acetamido}imino)methyl]phenyl benzoate

SMILES

O=C(CNC(c1ccco1)=O)N/N=C/c(cc(cc1)Br)c1OC(c1ccccc1)=O

InChI

InChI=1S/C21H16BrN3O5/c22-16-8-9-17(30-21(28)14-5-2-1-3-6-14)15(11-16)12-24-25-19(26)13-23-20(27)18-7-4-10-29-18/h1-12H,13H2,(H,23,27)(H,25,26)

InChI Key

PCPBVTGXKDAPDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.81

Polar Surface Area

89.069

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8006-1899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1899?
Check Price and Availability of 8006-1899, 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 8006-1899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1899
  • 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 8006-1899 available by request