T964-0264 Screening compound: N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide

T964-0264 Screening compound: N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide
T964-0264 Screening compound: N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T964-0264
N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)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

T964-0264

Molecular Formula

C21H28N4O2 (C21 H28 N4 O2)

Compound Name

N-[2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide

IUPAC name

N-[2-(1-methyl-1H-13-benzodiazol-2-yl)ethyl]-3-oxo-2-(propan-2-yl)-2-azaspiro[3.4]octane-1-carboxamide

SMILES

CC(C)N(C(C12CCCC2)C(NCCc2nc(cccc3)c3n2C)=O)C1=O

InChI

InChI=1S/C21H28N4O2/c1-14(2)25-18(21(20(25)27)11-6-7-12-21)19(26)22-13-10-17-23-15-8-4-5-9-16(15)24(17)3/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3,(H,22,26)/t18-/m0/s1

InChI Key

RXZOOISQPDSTCA-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31985708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

1.954

Water Solubility, LogSw

-2.44

Polar Surface Area

53.045

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

T964-0264 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 Inhibitors Tripeptide Mimetics (23972 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

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

References: we are preparing a list of scientific research reports with T964-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T964-0264?
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What is the minimum amount of T964-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T964-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T964-0264
  • 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 T964-0264 available by request