T787-5114 Screening compound: 2-(2-bromobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-5114 Screening compound: 2-(2-bromobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-5114 Screening compound: 2-(2-bromobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-5114
2-(2-bromobenzoyl)-N-cyclohexyl-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

T787-5114

Molecular Formula

C22H29BrN2O3 (C22 H29 BrN2 O3)

Compound Name

2-(2-bromobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-(2-bromobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

O=C(C(CN(C1)C(c(cccc2)c2Br)=O)C11CCOCC1)NC1CCCCC1

InChI

InChI=1S/C22H29BrN2O3/c23-19-9-5-4-8-17(19)21(27)25-14-18(22(15-25)10-12-28-13-11-22)20(26)24-16-6-2-1-3-7-16/h4-5,8-9,16,18H,1-3,6-7,10-15H2,(H,24,26)/t18-/m0/s1

InChI Key

OCUXSKNGXRAEMP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD28996310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.45

Polar Surface Area

49.087

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

T787-5114 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T787-5114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-5114?
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What is the minimum amount of T787-5114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-5114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-5114
  • 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 T787-5114 available by request