D153-0008 Screening compound: 4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine

D153-0008 Screening compound: 4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine
D153-0008 Screening compound: 4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D153-0008
4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine

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

D153-0008

Molecular Formula

C20H20F3N5O4S (C20 H20 F3 N5 O4 S)

Compound Name

4-[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine

IUPAC name

4-[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]-1-[4-(trifluoromethoxy)benzenesulfonyl]piperidine

SMILES

COc(cc1)ccc1-n1nnnc1C(CC1)CCN1S(c(cc1)ccc1OC(F)(F)F)(=O)=O

InChI

InChI=1S/C20H20F3N5O4S/c1-31-16-4-2-15(3-5-16)28-19(24-25-26-28)14-10-12-27(13-11-14)33(29,30)18-8-6-17(7-9-18)32-20(21,22)23/h2-9,14H,10-13H2,1H3

InChI Key

WQGJWNZGENDZDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.112

Distribution Coefficient, logD

4.112

Water Solubility, LogSw

-4.20

Polar Surface Area

84.498

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

D153-0008 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D153-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D153-0008?
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What is the minimum amount of D153-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D153-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D153-0008
  • 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 D153-0008 available by request