T787-5454 Screening compound: N~4~-cyclohexyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-5454 Screening compound: N~4~-cyclohexyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-5454 Screening compound: N~4~-cyclohexyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-5454
N~4~-cyclohexyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane-4-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

T787-5454

Molecular Formula

C20H31N3O5S (C20 H31 N3 O5 S)

Compound Name

N~4~-cyclohexyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

N-cyclohexyl-2-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

Cc1noc(C)c1S(N(C1)CC2(CCOCC2)C1C(NC1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C20H31N3O5S/c1-14-18(15(2)28-22-14)29(25,26)23-12-17(20(13-23)8-10-27-11-9-20)19(24)21-16-6-4-3-5-7-16/h16-17H,3-13H2,1-2H3,(H,21,24)/t17-/m0/s1

InChI Key

IPRWVTVKAZIUTL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28996386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.560

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-2.14

Polar Surface Area

86.188

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

T787-5454 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T787-5454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-5454?
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What is the minimum amount of T787-5454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-5454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-5454
  • 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 T787-5454 available by request