8006-9181 Screening compound: N-(4-bromophenyl)-6-[(2E)-2-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

8006-9181 Screening compound: N-(4-bromophenyl)-6-[(2E)-2-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
8006-9181 Screening compound: N-(4-bromophenyl)-6-[(2E)-2-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9181
N-(4-bromophenyl)-6-[(2E)-2-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

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

8006-9181

Molecular Formula

C22H15BrN8O5 (C22 H15 BrN8 O5)

Compound Name

N-(4-bromophenyl)-6-[(2E)-2-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

IUPAC name

N-(4-bromophenyl)-6-[(2E)-2-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-[125]oxadiazolo[34-b]pyrazin-5-amine

SMILES

COc(cc(cc1)[N+]([O-])=O)c1-c1ccc(/C=N/Nc2nc3nonc3nc2Nc(cc2)ccc2Br)o1

InChI

InChI=1S/C22H15BrN8O5/c1-34-18-10-14(31(32)33)6-8-16(18)17-9-7-15(35-17)11-24-28-20-19(25-13-4-2-12(23)3-5-13)26-21-22(27-20)30-36-29-21/h2-11H,1H3,(H,25,26,29)(H,27,28,30)

InChI Key

XTQNVWFYIWYIPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00609413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.32

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.785

Distribution Coefficient, logD

6.785

Water Solubility, LogSw

-5.93

Polar Surface Area

135.352

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8006-9181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9181?
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What is the minimum amount of 8006-9181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9181
  • 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 8006-9181 available by request