T787-4816 Screening compound: N2-(3-chlorophenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

T787-4816 Screening compound: N2-(3-chlorophenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
T787-4816 Screening compound: N2-(3-chlorophenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-4816
N2-(3-chlorophenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

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

T787-4816

Molecular Formula

C18H24ClN3O3 (C18 H24 ClN3 O3)

Compound Name

N2-(3-chlorophenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

IUPAC name

N2-(3-chlorophenyl)-N4N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-24-dicarboxamide

SMILES

CN(C)C(C(CN(C1)C(Nc2cccc(Cl)c2)=O)C11CCOCC1)=O

InChI

InChI=1S/C18H24ClN3O3/c1-21(2)16(23)15-11-22(12-18(15)6-8-25-9-7-18)17(24)20-14-5-3-4-13(19)10-14/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,24)/t15-/m0/s1

InChI Key

ZTNDIIQIQXDQII-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD28999497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.710

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-2.75

Polar Surface Area

49.770

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

T787-4816 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 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)

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

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cancer
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 T787-4816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-4816?
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What is the minimum amount of T787-4816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-4816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-4816
  • 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 T787-4816 available by request