8008-9818 Screening compound: N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-{(E)-1-[4-(methylsulfanyl)phenyl]methylidene}amine

8008-9818 Screening compound: N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-{(E)-1-[4-(methylsulfanyl)phenyl]methylidene}amine
8008-9818 Screening compound: N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-{(E)-1-[4-(methylsulfanyl)phenyl]methylidene}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9818
N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-{(E)-1-[4-(methylsulfanyl)phenyl]methylidene}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

8008-9818

Molecular Formula

C9H10N6S (C9 H10 N6 S)

Compound Name

N-(5-amino-1H-1,2,3,4-tetraazol-1-yl)-N-{(E)-1-[4-(methylsulfanyl)phenyl]methylidene}amine

IUPAC name

(1E)-N1-{[4-(methylsulfanyl)phenyl]methylidene}-1H-1234-tetrazole-15-diamine

SMILES

CSc1ccc(/C=N/n2nnnc2N)cc1

InChI

InChI=1S/C9H10N6S/c1-16-8-4-2-7(3-5-8)6-11-15-9(10)12-13-14-15/h2-6H,1H3,(H2,10,12,14)

InChI Key

ZKGHEMQZBYHNKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01160821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.961

Distribution Coefficient, logD

0.961

Water Solubility, LogSw

-1.55

Polar Surface Area

69.799

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

References: we are preparing a list of scientific research reports with 8008-9818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9818?
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What is the minimum amount of 8008-9818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9818
  • 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 8008-9818 available by request