T787-5011 Screening compound: N4,N4-dimethyl-N2-(3-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

T787-5011 Screening compound: N4,N4-dimethyl-N2-(3-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
T787-5011 Screening compound: N4,N4-dimethyl-N2-(3-methylphenyl)-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-5011
N4,N4-dimethyl-N2-(3-methylphenyl)-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

T787-5011

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(N(C2)CC3(CCOCC3)C2C(N(C)C)=O)=O)c1

InChI

InChI=1S/C19H27N3O3/c1-14-5-4-6-15(11-14)20-18(24)22-12-16(17(23)21(2)3)19(13-22)7-9-25-10-8-19/h4-6,11,16H,7-10,12-13H2,1-3H3,(H,20,24)/t16-/m0/s1

InChI Key

XOKMBOJTRFPJHA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29004175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

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

1.316

Distribution Coefficient, logD

1.316

Water Solubility, LogSw

-2.26

Polar Surface Area

49.770

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

T787-5011 in Drug Discovery

Included in Screening Libraries

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

Bcl2-PPI Inhibitors Library (12246 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)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T787-5011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-5011?
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What is the minimum amount of T787-5011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-5011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-5011
  • 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 T787-5011 available by request