8002-9725 Screening compound: 2-bromo-N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

8002-9725 Screening compound: 2-bromo-N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide
8002-9725 Screening compound: 2-bromo-N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9725
2-bromo-N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

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

8002-9725

Molecular Formula

C18H17BrIN3O4 (C18 H17 BrIN3 O4)

Compound Name

2-bromo-N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

IUPAC name

2-bromo-N-({N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]hydrazinecarbonyl}methyl)benzamide

SMILES

CCOc1cc(/C=N/NC(CNC(c(cccc2)c2Br)=O)=O)cc(I)c1O

InChI

InChI=1S/C18H17BrIN3O4/c1-2-27-15-8-11(7-14(20)17(15)25)9-22-23-16(24)10-21-18(26)12-5-3-4-6-13(12)19/h3-9,25H,2,10H2,1H3,(H,21,26)(H,23,24)

InChI Key

KJLKNGURCLCRBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00362629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.16

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

4.270

Water Solubility, LogSw

-4.13

Polar Surface Area

82.715

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 8002-9725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9725?
Check Price and Availability of 8002-9725, 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 8002-9725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9725
  • 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 8002-9725 available by request