T500-1981 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}piperidine-1-carboxamide

T500-1981 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}piperidine-1-carboxamide
T500-1981 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T500-1981
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}piperidine-1-carboxamide

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

T500-1981

Molecular Formula

C24H33N3O5 (C24 H33 N3 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}piperidine-1-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-4-{1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}piperidine-1-carboxamide

SMILES

O=C(C(CC1)CCN1C(Nc(cc1)cc2c1OCCO2)=O)N(CC1)CCC11OCCCC1

InChI

InChI=1S/C24H33N3O5/c28-22(26-12-8-24(9-13-26)7-1-2-14-32-24)18-5-10-27(11-6-18)23(29)25-19-3-4-20-21(17-19)31-16-15-30-20/h3-4,17-18H,1-2,5-16H2,(H,25,29)

InChI Key

UYRSQWAJMLADMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.417

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-2.06

Polar Surface Area

64.781

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

T500-1981 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T500-1981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T500-1981?
Check Price and Availability of T500-1981, 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 T500-1981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T500-1981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T500-1981
  • 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 T500-1981 available by request