T787-5131 Screening compound: 2-(3-chlorobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-5131 Screening compound: 2-(3-chlorobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-5131 Screening compound: 2-(3-chlorobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-5131
2-(3-chlorobenzoyl)-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

T787-5131

Molecular Formula

C22H29ClN2O3 (C22 H29 ClN2 O3)

Compound Name

2-(3-chlorobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-(3-chlorobenzoyl)-N-cyclohexyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

O=C(C(CN(C1)C(c2cccc(Cl)c2)=O)C11CCOCC1)NC1CCCCC1

InChI

InChI=1S/C22H29ClN2O3/c23-17-6-4-5-16(13-17)21(27)25-14-19(22(15-25)9-11-28-12-10-22)20(26)24-18-7-2-1-3-8-18/h4-6,13,18-19H,1-3,7-12,14-15H2,(H,24,26)/t19-/m0/s1

InChI Key

WSAGTYKMWOILRR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD28996276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.94

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

3.188

Distribution Coefficient, logD

3.188

Water Solubility, LogSw

-3.70

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

T787-5131 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • Cancer
  • Hemic and lymphatic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with T787-5131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-5131?
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What is the minimum amount of T787-5131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-5131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-5131
  • 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 T787-5131 available by request