8008-5404 Screening compound: 2-[(E)-(2-{6-[(4-iodophenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]-4,6-dinitrophenol

8008-5404 Screening compound: 2-[(E)-(2-{6-[(4-iodophenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]-4,6-dinitrophenol
8008-5404 Screening compound: 2-[(E)-(2-{6-[(4-iodophenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]-4,6-dinitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5404
2-[(E)-(2-{6-[(4-iodophenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]-4,6-dinitrophenol

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

8008-5404

Molecular Formula

C17H10IN9O6 (C17 H10 IN9 O6)

Compound Name

2-[(E)-(2-{6-[(4-iodophenyl)amino]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]-4,6-dinitrophenol

IUPAC name

2-[(E)-(2-{6-[(4-iodophenyl)amino]-[125]oxadiazolo[34-b]pyrazin-5-yl}hydrazin-1-ylidene)methyl]-46-dinitrophenol

SMILES

[O-][N+](c(cc1[N+]([O-])=O)cc(/C=N/Nc2nc3nonc3nc2Nc(cc2)ccc2I)c1O)=O

InChI

InChI=1S/C17H10IN9O6/c18-9-1-3-10(4-2-9)20-14-15(22-17-16(21-14)24-33-25-17)23-19-7-8-5-11(26(29)30)6-12(13(8)28)27(31)32/h1-7,28H,(H,20,21,24)(H,22,23,25)

InChI Key

AAOSIPOFJYZMDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

563.23

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-5.81

Polar Surface Area

168.712

Acid Dissociation Constant (pKa)

3.57

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8008-5404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5404?
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What is the minimum amount of 8008-5404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5404
  • 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 8008-5404 available by request