T964-0317 Screening compound: N-[2-(3-methylphenyl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide

T964-0317 Screening compound: N-[2-(3-methylphenyl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide
T964-0317 Screening compound: N-[2-(3-methylphenyl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T964-0317
N-[2-(3-methylphenyl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-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

T964-0317

Molecular Formula

C20H28N2O2 (C20 H28 N2 O2)

Compound Name

N-[2-(3-methylphenyl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide

IUPAC name

N-[2-(3-methylphenyl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide

SMILES

CC(C)N(C(C12CCCC2)C(NCCc2cc(C)ccc2)=O)C1=O

InChI

InChI=1S/C20H28N2O2/c1-14(2)22-17(20(19(22)24)10-4-5-11-20)18(23)21-12-9-16-8-6-7-15(3)13-16/h6-8,13-14,17H,4-5,9-12H2,1-3H3,(H,21,23)/t17-/m0/s1

InChI Key

JRLPBZLIGSFXAH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29016625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-3.14

Polar Surface Area

41.059

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

T964-0317 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)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T964-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T964-0317?
Check Price and Availability of T964-0317, 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 T964-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T964-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T964-0317
  • 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 T964-0317 available by request