6406-0091 Screening compound: 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

6406-0091 Screening compound: 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid
6406-0091 Screening compound: 4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6406-0091
4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]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

6406-0091

Molecular Formula

C15H17N5O3S (C15 H17 N5 O3 S)

Compound Name

4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1,2,3,4-tetrazol-1-yl)benzoic acid

IUPAC name

4-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1H-1234-tetrazol-1-yl)benzoic acid

SMILES

OC(c(cc1)ccc1-n1nnnc1SCC(N1CCCCC1)=O)=O

InChI

InChI=1S/C15H17N5O3S/c21-13(19-8-2-1-3-9-19)10-24-15-16-17-18-20(15)12-6-4-11(5-7-12)14(22)23/h4-7H,1-3,8-10H2,(H,22,23)

InChI Key

AHBGDZHVHXNEDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01580923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.006

Distribution Coefficient, logD

-0.880

Water Solubility, LogSw

-2.39

Polar Surface Area

84.689

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 6406-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6406-0091?
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What is the minimum amount of 6406-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6406-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6406-0091
  • 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 6406-0091 available by request