8014-8623 Screening compound: (2-fluorophenyl)methyl 4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoate

8014-8623 Screening compound: (2-fluorophenyl)methyl 4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoate
8014-8623 Screening compound: (2-fluorophenyl)methyl 4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8623
(2-fluorophenyl)methyl 4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoate

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

8014-8623

Molecular Formula

C16H13FN4O2S (C16 H13 FN4 O2 S)

Compound Name

(2-fluorophenyl)methyl 4-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoate

IUPAC name

(2-fluorophenyl)methyl 4-[5-(methylsulfanyl)-1H-1234-tetrazol-1-yl]benzoate

SMILES

CSc1nnnn1-c(cc1)ccc1C(OCc(cccc1)c1F)=O

InChI

InChI=1S/C16H13FN4O2S/c1-24-16-18-19-20-21(16)13-8-6-11(7-9-13)15(22)23-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3

InChI Key

WGEVMUZARFXHBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.764

Water Solubility, LogSw

-3.97

Polar Surface Area

61.018

Acid Dissociation Constant (pKa)

28.29

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8014-8623 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8014-8623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8623?
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What is the minimum amount of 8014-8623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8623
  • 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 8014-8623 available by request