3448-1095 Screening compound: 5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazole

3448-1095 Screening compound: 5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazole
3448-1095 Screening compound: 5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-1095
5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazole

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

3448-1095

Molecular Formula

C18H12ClN5O2S (C18 H12 ClN5 O2 S)

Compound Name

5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazole

IUPAC name

5-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1-(naphthalen-1-yl)-1H-1234-tetrazole

SMILES

[O-][N+](c1cccc(Cl)c1CSc1nnnn1-c1cccc2ccccc12)=O

InChI

InChI=1S/C18H12ClN5O2S/c19-15-8-4-10-17(24(25)26)14(15)11-27-18-20-21-22-23(18)16-9-3-6-12-5-1-2-7-13(12)16/h1-10H,11H2

InChI Key

JKMZHOHQEPNDBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01896061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-6.15

Polar Surface Area

72.397

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3448-1095 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3448-1095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-1095?
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What is the minimum amount of 3448-1095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-1095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-1095
  • 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 3448-1095 available by request