T822-0278 Screening compound: {2-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol

T822-0278 Screening compound: {2-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol
T822-0278 Screening compound: {2-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound T822-0278
{2-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol

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

T822-0278

Molecular Formula

C21H29N3OS (C21 H29 N3 OS)

Compound Name

{2-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol

IUPAC name

{2-benzyl-8-[(4-methyl-13-thiazol-5-yl)methyl]-28-diazaspiro[4.5]decan-4-yl}methanol

SMILES

Cc1c(CN(CC2)CCC22C(CO)CN(Cc3ccccc3)C2)scn1

InChI

InChI=1S/C21H29N3OS/c1-17-20(26-16-22-17)13-23-9-7-21(8-10-23)15-24(12-19(21)14-25)11-18-5-3-2-4-6-18/h2-6,16,19,25H,7-15H2,1H3/t19-/m1/s1

InChI Key

QPBCQAXKTRSULG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD28994914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

-1.057

Water Solubility, LogSw

-1.93

Polar Surface Area

34.985

Acid Dissociation Constant (pKa)

15.87

Base Dissociation Constant (pKb)

10.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

T822-0278 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 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)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T822-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T822-0278?
Check Price and Availability of T822-0278, 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 T822-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T822-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T822-0278
  • 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 T822-0278 available by request