T630-0756 Screening compound: 3,5-DIMETHYL-4-{[4-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}ISOXAZOLE

T630-0756 Screening compound: 3,5-DIMETHYL-4-{[4-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}ISOXAZOLE
T630-0756 Screening compound: 3,5-DIMETHYL-4-{[4-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}ISOXAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-0756
3,5-DIMETHYL-4-{[4-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}ISOXAZOLE

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

T630-0756

Molecular Formula

C19H23N5O (C19 H23 N5 O)

Compound Name

3,5-DIMETHYL-4-{[4-(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINO]METHYL}ISOXAZOLE

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-(5-phenyl-4H-124-triazol-3-yl)piperidine

SMILES

Cc1noc(C)c1CN(CC1)CCC1c1nnc(-c2ccccc2)[nH]1

InChI

InChI=1S/C19H23N5O/c1-13-17(14(2)25-23-13)12-24-10-8-16(9-11-24)19-20-18(21-22-19)15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,20,21,22)

InChI Key

KVMIWCDWFABEDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.459

Distribution Coefficient, logD

-0.406

Water Solubility, LogSw

-2.53

Polar Surface Area

59.522

Acid Dissociation Constant (pKa)

4.94

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

T630-0756 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T630-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-0756?
Check Price and Availability of T630-0756, 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 T630-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-0756
  • 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 T630-0756 available by request