T787-6382 Screening compound: 2-(3,5-difluorobenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

T787-6382 Screening compound: 2-(3,5-difluorobenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
T787-6382 Screening compound: 2-(3,5-difluorobenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-6382
2-(3,5-difluorobenzoyl)-N-[2-(pyridin-4-yl)ethyl]-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

T787-6382

Molecular Formula

C23H25F2N3O3 (C23 H25 F2 N3 O3)

Compound Name

2-(3,5-difluorobenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

IUPAC name

2-(35-difluorobenzoyl)-N-[2-(pyridin-4-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

O=C(C(CN(C1)C(c2cc(F)cc(F)c2)=O)C11CCOCC1)NCCc1ccncc1

InChI

InChI=1S/C23H25F2N3O3/c24-18-11-17(12-19(25)13-18)22(30)28-14-20(23(15-28)4-9-31-10-5-23)21(29)27-8-3-16-1-6-26-7-2-16/h1-2,6-7,11-13,20H,3-5,8-10,14-15H2,(H,27,29)/t20-/m0/s1

InChI Key

BICFBMWUQFVIIM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD28999599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.295

Distribution Coefficient, logD

1.250

Water Solubility, LogSw

-1.75

Polar Surface Area

58.632

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

T787-6382 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CORONAVIRUS Library (20774 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T787-6382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-6382?
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What is the minimum amount of T787-6382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-6382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-6382
  • 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 T787-6382 available by request