T787-2198 Screening compound: N~2~-(2,5-dimethylphenyl)-N~4~-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

T787-2198 Screening compound: N~2~-(2,5-dimethylphenyl)-N~4~-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
T787-2198 Screening compound: N~2~-(2,5-dimethylphenyl)-N~4~-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-2198
N~2~-(2,5-dimethylphenyl)-N~4~-methyl-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

T787-2198

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

N~2~-(2,5-dimethylphenyl)-N~4~-methyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

IUPAC name

N2-(25-dimethylphenyl)-N4-methyl-8-oxa-2-azaspiro[4.5]decane-24-dicarboxamide

SMILES

Cc1cc(NC(N(C2)CC3(CCOCC3)C2C(NC)=O)=O)c(C)cc1

InChI

InChI=1S/C19H27N3O3/c1-13-4-5-14(2)16(10-13)21-18(24)22-11-15(17(23)20-3)19(12-22)6-8-25-9-7-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,20,23)(H,21,24)/t15-/m0/s1

InChI Key

ONBOWBAGPJTXGF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD28995874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.365

Distribution Coefficient, logD

1.365

Water Solubility, LogSw

-2.21

Polar Surface Area

57.907

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

T787-2198 in Drug Discovery

Included in Screening Libraries

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)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T787-2198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-2198?
Check Price and Availability of T787-2198, 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 T787-2198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-2198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-2198
  • 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 T787-2198 available by request