8007-4797 Screening compound: 2-({[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole

8007-4797 Screening compound: 2-({[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole
8007-4797 Screening compound: 2-({[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4797
2-({[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole

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

8007-4797

Molecular Formula

C19H14N6S (C19 H14 N6 S)

Compound Name

2-({[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}methyl)-1H-1,3-benzodiazole

IUPAC name

2-({[1-(naphthalen-1-yl)-1H-1234-tetrazol-5-yl]sulfanyl}methyl)-1H-13-benzodiazole

SMILES

C(c1nc(cccc2)c2[nH]1)Sc1nnnn1-c1cccc2ccccc12

InChI

InChI=1S/C19H14N6S/c1-2-8-14-13(6-1)7-5-11-17(14)25-19(22-23-24-25)26-12-18-20-15-9-3-4-10-16(15)21-18/h1-11H,12H2,(H,20,21)

InChI Key

GGLJFZHMGSOQNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00716672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.505

Distribution Coefficient, logD

4.480

Water Solubility, LogSw

-4.67

Polar Surface Area

59.598

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8007-4797 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-4797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4797?
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What is the minimum amount of 8007-4797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4797
  • 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 8007-4797 available by request