T965-0871 Screening compound: 3-(cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

T965-0871 Screening compound: 3-(cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
T965-0871 Screening compound: 3-(cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T965-0871
3-(cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

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

T965-0871

Molecular Formula

C22H32N4O4 (C22 H32 N4 O4)

Compound Name

3-(cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

IUPAC name

3-(cyclopropylmethoxy)-1-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

SMILES

CCn(cc1)nc1C(N(CC1)CCC1N(C1(CCOCC1)C1OCC2CC2)C1=O)=O

InChI

InChI=1S/C22H32N4O4/c1-2-25-12-7-18(23-25)20(27)24-10-5-17(6-11-24)26-21(28)19(30-15-16-3-4-16)22(26)8-13-29-14-9-22/h7,12,16-17,19H,2-6,8-11,13-15H2,1H3/t19-/m0/s1

InChI Key

VUXPDYZBRHYJSR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29016681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.111

Distribution Coefficient, logD

1.111

Water Solubility, LogSw

-1.81

Polar Surface Area

61.354

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.30

T965-0871 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T965-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T965-0871?
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What is the minimum amount of T965-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T965-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T965-0871
  • 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 T965-0871 available by request