T787-3203 Screening compound: N-(4-FLUOROPHENYL)-2-(PYRIDINE-4-CARBONYL)-8-OXA-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE

Chemical Structure Depiction of ChemDiv screening compound T787-3203
N-(4-FLUOROPHENYL)-2-(PYRIDINE-4-CARBONYL)-8-OXA-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE

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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T787-3203

Molecular Formula

C₂₁H₂₂FN₃O₃ (C21 H22 FN3 O3)

Compound Name

N-(4-FLUOROPHENYL)-2-(PYRIDINE-4-CARBONYL)-8-OXA-2-AZASPIRO[4.5]DECANE-4-CARBOXAMIDE

IUPAC name

N-(4-fluorophenyl)-2-(pyridine-4-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

SMILES

O=C(C(CN(C1)C(c2ccncc2)=O)C11CCOCC1)Nc(cc1)ccc1F

InChI

InChI=1S/C21H22FN3O3/c22-16-1-3-17(4-2-16)24-19(26)18-13-25(14-21(18)7-11-28-12-8-21)20(27)15-5-9-23-10-6-15/h1-6,9-10,18H,7-8,11-14H2,(H,24,26)/t18-/m1/s1

InChI Key

CWSYQKMSNQLIAP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD28995951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.226

Distribution Coefficient, logD

1.222

Water Solubility, LogSw

-1.65

Polar Surface Area

57.468

Acid Dissociation Constant (pK_a)

9.81

Base Dissociation Constant (pK_b)

5.14

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

38.10

T787-3203 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Arginine Methyltransferases Library (27925 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)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Cancer
Hemic and lymphatic
Musculoskeletal
Respiratory tract
Nervous system
Congenital
Skin
Metabolic
Endocrine
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic
Metabolic
Cancer

Mechanism of action:

PPI modulators
Receptor's ligands
PPI modulators
Epigenetic
PPI modulators
PPI modulators
PPI modulators
PPI modulators

Targets:

GPCR
Others

Structure:

Mimetics
Cyclic compounds
Cyclic compounds
Mimetics

References: we are preparing a list of scientific research reports with T787-3203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T787-3203?
Check Price and Availability of T787-3203, 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 T787-3203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for T787-3203
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for T787-3203

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 T787-3203 available by request