8002-2439 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 4-bromobenzoate

8002-2439 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 4-bromobenzoate
8002-2439 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-2439
4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 4-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

8002-2439

Molecular Formula

C23H17BrN2O5 (C23 H17 BrN2 O5)

Compound Name

4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-2-yl)formamido]imino}methyl]phenyl 4-bromobenzoate

IUPAC name

4-[(E)-{[(23-dihydro-14-benzodioxin-2-yl)formamido]imino}methyl]phenyl 4-bromobenzoate

SMILES

O=C(C1Oc(cccc2)c2OC1)N/N=C/c(cc1)ccc1OC(c(cc1)ccc1Br)=O

InChI

InChI=1S/C23H17BrN2O5/c24-17-9-7-16(8-10-17)23(28)30-18-11-5-15(6-12-18)13-25-26-22(27)21-14-29-19-3-1-2-4-20(19)31-21/h1-13,21H,14H2,(H,26,27)/t21-/m0/s1

InChI Key

QESKHVBDTNYXLJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00637192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.910

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.98

Polar Surface Area

71.369

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with 8002-2439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-2439?
Check Price and Availability of 8002-2439, 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 8002-2439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-2439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-2439
  • 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 8002-2439 available by request