8009-9461 Screening compound: 2-{(Z)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}-N~1~-phenyl-1-hydrazinecarbothioamide

8009-9461 Screening compound: 2-{(Z)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}-N~1~-phenyl-1-hydrazinecarbothioamide
8009-9461 Screening compound: 2-{(Z)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}-N~1~-phenyl-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9461
2-{(Z)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}-N~1~-phenyl-1-hydrazinecarbothioamide

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

8009-9461

Molecular Formula

C14H15N9OS (C14 H15 N9 OS)

Compound Name

2-{(Z)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethylidene}-N~1~-phenyl-1-hydrazinecarbothioamide

IUPAC name

3-[(Z)-{1-[1-(4-amino-125-oxadiazol-3-yl)-5-methyl-1H-123-triazol-4-yl]ethylidene}amino]-1-phenylthiourea

SMILES

C/C(/c1c(C)n(-c2nonc2N)nn1)=N/NC(Nc1ccccc1)=S

InChI

InChI=1S/C14H15N9OS/c1-8(17-19-14(25)16-10-6-4-3-5-7-10)11-9(2)23(22-18-11)13-12(15)20-24-21-13/h3-7H,1-2H3,(H2,15,20)(H2,16,19,25)

InChI Key

VZRUADITLWZTQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-2.62

Polar Surface Area

113.664

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with 8009-9461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9461?
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What is the minimum amount of 8009-9461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9461
  • 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 8009-9461 available by request