T787-5783 Screening compound: 2-(3,4-dimethylbenzenesulfonyl)-N-[(pyridin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-5783 Screening compound: 2-(3,4-dimethylbenzenesulfonyl)-N-[(pyridin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-5783 Screening compound: 2-(3,4-dimethylbenzenesulfonyl)-N-[(pyridin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-5783
2-(3,4-dimethylbenzenesulfonyl)-N-[(pyridin-4-yl)methyl]-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

T787-5783

Molecular Formula

C23H29N3O4S (C23 H29 N3 O4 S)

Compound Name

2-(3,4-dimethylbenzenesulfonyl)-N-[(pyridin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-(34-dimethylbenzenesulfonyl)-N-[(pyridin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

Cc(cc1)c(C)cc1S(N(C1)CC2(CCOCC2)C1C(NCc1ccncc1)=O)(=O)=O

InChI

InChI=1S/C23H29N3O4S/c1-17-3-4-20(13-18(17)2)31(28,29)26-15-21(23(16-26)7-11-30-12-8-23)22(27)25-14-19-5-9-24-10-6-19/h3-6,9-10,13,21H,7-8,11-12,14-16H2,1-2H3,(H,25,27)/t21-/m0/s1

InChI Key

NLNHULLPUIDYKM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD29000009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.918

Distribution Coefficient, logD

1.915

Water Solubility, LogSw

-2.44

Polar Surface Area

73.853

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

T787-5783 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 Arginine Methyltransferases Library (27925 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with T787-5783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-5783?
Check Price and Availability of T787-5783, 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 T787-5783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-5783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-5783
  • 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 T787-5783 available by request