T500-1798 Screening compound: 9-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane

T500-1798 Screening compound: 9-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane
T500-1798 Screening compound: 9-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane alternative view

Chemical Structure Depiction of ChemDiv screening compound T500-1798
9-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane

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

T500-1798

Molecular Formula

C28H35N3O3 (C28 H35 N3 O3)

Compound Name

9-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane

IUPAC name

9-{5-[(35-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane

SMILES

Cc1cc(C)nn1Cc1ccc(C(N(CC2)CCC22OCCC(Cc3ccc(C)cc3)C2)=O)o1

InChI

InChI=1S/C28H35N3O3/c1-20-4-6-23(7-5-20)17-24-10-15-33-28(18-24)11-13-30(14-12-28)27(32)26-9-8-25(34-26)19-31-22(3)16-21(2)29-31/h4-9,16,24H,10-15,17-19H2,1-3H3/t24-/m0/s1

InChI Key

LUFWHIOXWHHPCI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD31980779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.6

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

4.368

Water Solubility, LogSw

-4.24

Polar Surface Area

44.794

Acid Dissociation Constant (pKa)

25.49

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T500-1798 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)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T500-1798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T500-1798?
Check Price and Availability of T500-1798, 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 T500-1798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T500-1798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T500-1798
  • 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 T500-1798 available by request