5918-1009 Screening compound: 2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-phenylacetamide

5918-1009 Screening compound: 2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-phenylacetamide
5918-1009 Screening compound: 2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5918-1009
2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-phenylacetamide

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

5918-1009

Molecular Formula

C15H13N5O2S (C15 H13 N5 O2 S)

Compound Name

2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[1-(3-hydroxyphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}-N-phenylacetamide

SMILES

Oc1cccc(-n2nnnc2SCC(Nc2ccccc2)=O)c1

InChI

InChI=1S/C15H13N5O2S/c21-13-8-4-7-12(9-13)20-15(17-18-19-20)23-10-14(22)16-11-5-2-1-3-6-11/h1-9,21H,10H2,(H,16,22)

InChI Key

NORZDZOCJKYLSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03675187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.399

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-2.61

Polar Surface Area

80.655

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 5918-1009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5918-1009?
Check Price and Availability of 5918-1009, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5918-1009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5918-1009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5918-1009
  • 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 5918-1009 available by request