T787-4987 Screening compound: N2-(2,3-dimethylphenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

T787-4987 Screening compound: N2-(2,3-dimethylphenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
T787-4987 Screening compound: N2-(2,3-dimethylphenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-4987
N2-(2,3-dimethylphenyl)-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

T787-4987

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

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

IUPAC name

N2-(23-dimethylphenyl)-N4N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-24-dicarboxamide

SMILES

Cc1cccc(NC(N(C2)CC3(CCOCC3)C2C(N(C)C)=O)=O)c1C

InChI

InChI=1S/C20H29N3O3/c1-14-6-5-7-17(15(14)2)21-19(25)23-12-16(18(24)22(3)4)20(13-23)8-10-26-11-9-20/h5-7,16H,8-13H2,1-4H3,(H,21,25)/t16-/m0/s1

InChI Key

ONIMKCCDPPEGPR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28999460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

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

1.983

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.41

Polar Surface Area

49.072

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

T787-4987 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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 T787-4987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-4987?
Check Price and Availability of T787-4987, 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 T787-4987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-4987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-4987
  • 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 T787-4987 available by request