S569-0907 Screening compound: 5-[3-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperidine-1-carbonyl]-1H-1,3-benzodiazole

S569-0907 Screening compound: 5-[3-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperidine-1-carbonyl]-1H-1,3-benzodiazole
S569-0907 Screening compound: 5-[3-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperidine-1-carbonyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S569-0907
5-[3-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperidine-1-carbonyl]-1H-1,3-benzodiazole

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

S569-0907

Molecular Formula

C20H19N7O (C20 H19 N7 O)

Compound Name

5-[3-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperidine-1-carbonyl]-1H-1,3-benzodiazole

IUPAC name

5-[3-(1-phenyl-1H-1234-tetrazol-5-yl)piperidine-1-carbonyl]-1H-13-benzodiazole

SMILES

O=C(c(cc1)cc2c1[nH]cn2)N(CCC1)CC1c1nnnn1-c1ccccc1

InChI

InChI=1S/C20H19N7O/c28-20(14-8-9-17-18(11-14)22-13-21-17)26-10-4-5-15(12-26)19-23-24-25-27(19)16-6-2-1-3-7-16/h1-3,6-9,11,13,15H,4-5,10,12H2,(H,21,22)/t15-/m0/s1

InChI Key

RJZLZOHGZPXDAM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31960813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.700

Distribution Coefficient, logD

1.692

Water Solubility, LogSw

-2.23

Polar Surface Area

76.418

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S569-0907 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S569-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S569-0907?
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What is the minimum amount of S569-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S569-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S569-0907
  • 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 S569-0907 available by request