8007-5066 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]acetohydrazide

8007-5066 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]acetohydrazide
8007-5066 Screening compound: 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5066
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]acetohydrazide

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

8007-5066

Molecular Formula

C20H18IN7O4 (C20 H18 IN7 O4)

Compound Name

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,3-benzodiazol-1-yl]-N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]acetohydrazide

IUPAC name

2-[2-(4-amino-125-oxadiazol-3-yl)-1H-13-benzodiazol-1-yl]-N'-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]acetohydrazide

SMILES

CCOc1cc(/C=N/NC(Cn2c(-c3nonc3N)nc3c2cccc3)=O)cc(I)c1O

InChI

InChI=1S/C20H18IN7O4/c1-2-31-15-8-11(7-12(21)18(15)30)9-23-25-16(29)10-28-14-6-4-3-5-13(14)24-20(28)17-19(22)27-32-26-17/h3-9,30H,2,10H2,1H3,(H2,22,27)(H,25,29)

InChI Key

DLNHQUKJCFNXKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01029454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.08

Polar Surface Area

125.044

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 8007-5066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5066?
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What is the minimum amount of 8007-5066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5066
  • 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 8007-5066 available by request