D153-0002 Screening compound: 4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-phenylmethanesulfonylpiperidine

D153-0002 Screening compound: 4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-phenylmethanesulfonylpiperidine
D153-0002 Screening compound: 4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-phenylmethanesulfonylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0002
4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-phenylmethanesulfonylpiperidine

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

D153-0002

Molecular Formula

C20H23N5O3S (C20 H23 N5 O3 S)

Compound Name

4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-phenylmethanesulfonylpiperidine

IUPAC name

4-[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]-1-phenylmethanesulfonylpiperidine

SMILES

COc(cc1)ccc1-n1nnnc1C(CC1)CCN1S(Cc1ccccc1)(=O)=O

InChI

InChI=1S/C20H23N5O3S/c1-28-19-9-7-18(8-10-19)25-20(21-22-23-25)17-11-13-24(14-12-17)29(26,27)15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3

InChI Key

OOIMKTRQOPAXAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.520

Distribution Coefficient, logD

2.520

Water Solubility, LogSw

-2.52

Polar Surface Area

78.456

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D153-0002 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D153-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0002?
Check Price and Availability of D153-0002, 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 D153-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0002
  • 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 D153-0002 available by request