T987-3032 Screening compound: N-(2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}cyclopentyl)-6-methoxypyridine-3-carboxamide

T987-3032 Screening compound: N-(2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}cyclopentyl)-6-methoxypyridine-3-carboxamide
T987-3032 Screening compound: N-(2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}cyclopentyl)-6-methoxypyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T987-3032
N-(2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}cyclopentyl)-6-methoxypyridine-3-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

T987-3032

Molecular Formula

C20H27N3O5 (C20 H27 N3 O5)

Compound Name

N-(2-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}cyclopentyl)-6-methoxypyridine-3-carboxamide

IUPAC name

N-[(1R2S)-2-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}cyclopentyl]-6-methoxypyridine-3-carboxamide

SMILES

COc(cc1)ncc1C(N[C@@H](CCC1)[C@@H]1C(N(CC1)CCC11OCCO1)=O)=O

InChI

InChI=1S/C20H27N3O5/c1-26-17-6-5-14(13-21-17)18(24)22-16-4-2-3-15(16)19(25)23-9-7-20(8-10-23)27-11-12-28-20/h5-6,13,15-16H,2-4,7-12H2,1H3,(H,22,24)/t15-,16+/m1/s1

InChI Key

MAYUEYLVRNLLBC-CVEARBPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.850

Distribution Coefficient, logD

0.850

Water Solubility, LogSw

-2.13

Polar Surface Area

72.800

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

T987-3032 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with T987-3032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T987-3032?
Check Price and Availability of T987-3032, 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 T987-3032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T987-3032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T987-3032
  • 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 T987-3032 available by request