T787-5028 Screening compound: N2-(2-fluorophenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

T787-5028 Screening compound: N2-(2-fluorophenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
T787-5028 Screening compound: N2-(2-fluorophenyl)-N4,N4-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T787-5028
N2-(2-fluorophenyl)-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

T787-5028

Molecular Formula

C18H24FN3O3 (C18 H24 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(C(CN(C1)C(Nc(cccc2)c2F)=O)C11CCOCC1)=O

InChI

InChI=1S/C18H24FN3O3/c1-21(2)16(23)13-11-22(12-18(13)7-9-25-10-8-18)17(24)20-15-6-4-3-5-14(15)19/h3-6,13H,7-12H2,1-2H3,(H,20,24)/t13-/m0/s1

InChI Key

JJXCVJAJBQXSCB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD28999481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

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

1.133

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-2.24

Polar Surface Area

49.072

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

T787-5028 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T787-5028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-5028?
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What is the minimum amount of T787-5028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T787-5028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T787-5028
  • 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 T787-5028 available by request