D153-0025 Screening compound: 2-({4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile

D153-0025 Screening compound: 2-({4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile
D153-0025 Screening compound: 2-({4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0025
2-({4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile

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

D153-0025

Molecular Formula

C20H20N6O3S (C20 H20 N6 O3 S)

Compound Name

2-({4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile

IUPAC name

2-({4-[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]piperidin-1-yl}sulfonyl)benzonitrile

SMILES

COc(cc1)ccc1-n1nnnc1C(CC1)CCN1S(c(cccc1)c1C#N)(=O)=O

InChI

InChI=1S/C20H20N6O3S/c1-29-18-8-6-17(7-9-18)26-20(22-23-24-26)15-10-12-25(13-11-15)30(27,28)19-5-3-2-4-16(19)14-21/h2-9,15H,10-13H2,1H3

InChI Key

YMJOBOMIOXJBFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.17

Polar Surface Area

95.618

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with D153-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0025?
Check Price and Availability of D153-0025, 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 D153-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0025
  • 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 D153-0025 available by request