M564-0346 Screening compound: 3-{[4-(5-AMINO-1,2-OXAZOL-3-YL)PIPERIDIN-1-YL]SULFONYL}BENZONITRILE

M564-0346 Screening compound: 3-{[4-(5-AMINO-1,2-OXAZOL-3-YL)PIPERIDIN-1-YL]SULFONYL}BENZONITRILE
M564-0346 Screening compound: 3-{[4-(5-AMINO-1,2-OXAZOL-3-YL)PIPERIDIN-1-YL]SULFONYL}BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound M564-0346
3-{[4-(5-AMINO-1,2-OXAZOL-3-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

M564-0346

Molecular Formula

C15H16N4O3S (C15 H16 N4 O3 S)

Compound Name

3-{[4-(5-AMINO-1,2-OXAZOL-3-YL)PIPERIDIN-1-YL]SULFONYL}BENZONITRILE

IUPAC name

n/a

SMILES

Nc1cc(C(CC2)CCN2S(c2cc(C#N)ccc2)(=O)=O)no1

InChI

InChI=1S/C15H16N4O3S/c16-10-11-2-1-3-13(8-11)23(20,21)19-6-4-12(5-7-19)14-9-15(17)22-18-14/h1-3,8-9,12H,4-7,17H2

InChI Key

BOEHHXIOAVJCPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-2.35

Polar Surface Area

92.047

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M564-0346 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M564-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M564-0346?
Check Price and Availability of M564-0346, 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 M564-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M564-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M564-0346
  • 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 M564-0346 available by request