T965-0228 Screening compound: 3-(cyclopropylmethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1-azaspiro[3.5]nonan-2-one

T965-0228 Screening compound: 3-(cyclopropylmethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1-azaspiro[3.5]nonan-2-one
T965-0228 Screening compound: 3-(cyclopropylmethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1-azaspiro[3.5]nonan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T965-0228
3-(cyclopropylmethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-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

T965-0228

Molecular Formula

C21H32N4O4S (C21 H32 N4 O4 S)

Compound Name

3-(cyclopropylmethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1-azaspiro[3.5]nonan-2-one

IUPAC name

3-(cyclopropylmethoxy)-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-1-azaspiro[3.5]nonan-2-one

SMILES

Cn1cnc(S(N(CC2)CCC2N(C2(CCCCC2)C2OCC3CC3)C2=O)(=O)=O)c1

InChI

InChI=1S/C21H32N4O4S/c1-23-13-18(22-15-23)30(27,28)24-11-7-17(8-12-24)25-20(26)19(29-14-16-5-6-16)21(25)9-3-2-4-10-21/h13,15-17,19H,2-12,14H2,1H3/t19-/m0/s1

InChI Key

ATGRKVYPYVUBGY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29016661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.772

Distribution Coefficient, logD

1.772

Water Solubility, LogSw

-2.08

Polar Surface Area

66.535

Acid Dissociation Constant (pKa)

21.48

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.00

T965-0228 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T965-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T965-0228?
Check Price and Availability of T965-0228, 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 T965-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T965-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T965-0228
  • 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 T965-0228 available by request