8009-5770 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-5-[(morpholin-4-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

8009-5770 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-5-[(morpholin-4-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide
8009-5770 Screening compound: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-5-[(morpholin-4-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5770
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-5-[(morpholin-4-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

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

8009-5770

Molecular Formula

C26H26N10O4S2 (C26 H26 N10 O4 S2)

Compound Name

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-5-[(morpholin-4-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

IUPAC name

1-(4-amino-125-oxadiazol-3-yl)-N'-[(E)-{3-[(13-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-5-[(morpholin-4-yl)methyl]-1H-123-triazole-4-carbohydrazide

SMILES

COc1c(CSc2nc(cccc3)c3s2)cc(/C=N/NC(c2c(CN3CCOCC3)n(-c3nonc3N)nn2)=O)cc1

InChI

InChI=1S/C26H26N10O4S2/c1-38-20-7-6-16(12-17(20)15-41-26-29-18-4-2-3-5-21(18)42-26)13-28-31-25(37)22-19(14-35-8-10-39-11-9-35)36(34-30-22)24-23(27)32-40-33-24/h2-7,12-13H,8-11,14-15H2,1H3,(H2,27,32)(H,31,37)

InChI Key

NHEPBKPRFVMXIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01822001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.467

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.71

Polar Surface Area

146.237

Acid Dissociation Constant (pKa)

9.38

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 8009-5770 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5770
  • 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 8009-5770 available by request