6646-0069 Screening compound: 3-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic acid

6646-0069 Screening compound: 3-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic acid
6646-0069 Screening compound: 3-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6646-0069
3-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic acid

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

6646-0069

Molecular Formula

C16H12FN5O3S (C16 H12 FN5 O3 S)

Compound Name

3-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-1,2,3,4-tetrazol-1-yl]benzoic acid

IUPAC name

3-[5-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-1234-tetrazol-1-yl]benzoic acid

SMILES

OC(c1cccc(-n2nnnc2SCC(Nc(cccc2)c2F)=O)c1)=O

InChI

InChI=1S/C16H12FN5O3S/c17-12-6-1-2-7-13(12)18-14(23)9-26-16-19-20-21-22(16)11-5-3-4-10(8-11)15(24)25/h1-8H,9H2,(H,18,23)(H,24,25)

InChI Key

GTAPKMZPZJWPRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.608

Distribution Coefficient, logD

-1.510

Water Solubility, LogSw

-3.01

Polar Surface Area

90.749

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

References: we are preparing a list of scientific research reports with 6646-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6646-0069?
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What is the minimum amount of 6646-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6646-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6646-0069
  • 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 6646-0069 available by request