8004-9097 Screening compound: 2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2-nitrophenyl)acetamide

8004-9097 Screening compound: 2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
8004-9097 Screening compound: 2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9097
2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2-nitrophenyl)acetamide

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

8004-9097

Molecular Formula

C19H14N6O3S (C19 H14 N6 O3 S)

Compound Name

2-{[1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(2-nitrophenyl)acetamide

IUPAC name

2-{[1-(naphthalen-1-yl)-1H-1234-tetrazol-5-yl]sulfanyl}-N-(2-nitrophenyl)acetamide

SMILES

[O-][N+](c(cccc1)c1NC(CSc1nnnn1-c1cccc2ccccc12)=O)=O

InChI

InChI=1S/C19H14N6O3S/c26-18(20-15-9-3-4-10-17(15)25(27)28)12-29-19-21-22-23-24(19)16-11-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,20,26)

InChI Key

AOSLCGQGWXABMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.821

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.14

Polar Surface Area

94.848

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

8004-9097 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-9097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9097?
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What is the minimum amount of 8004-9097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9097
  • 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 8004-9097 available by request