T987-2975 Screening compound: N~4~-[(1R,2S)-2-(1,4-thiazinan-4-ylcarbonyl)cyclopentyl]isonicotinamide

T987-2975 Screening compound: N~4~-[(1R,2S)-2-(1,4-thiazinan-4-ylcarbonyl)cyclopentyl]isonicotinamide
T987-2975 Screening compound: N~4~-[(1R,2S)-2-(1,4-thiazinan-4-ylcarbonyl)cyclopentyl]isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T987-2975
N~4~-[(1R,2S)-2-(1,4-thiazinan-4-ylcarbonyl)cyclopentyl]isonicotinamide

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

T987-2975

Molecular Formula

C16H21N3O2S (C16 H21 N3 O2 S)

Compound Name

N~4~-[(1R,2S)-2-(1,4-thiazinan-4-ylcarbonyl)cyclopentyl]isonicotinamide

IUPAC name

N-[(1R2S)-2-(thiomorpholine-4-carbonyl)cyclopentyl]pyridine-4-carboxamide

SMILES

O=C([C@H](CCC1)[C@H]1NC(c1ccncc1)=O)N1CCSCC1

InChI

InChI=1S/C16H21N3O2S/c20-15(12-4-6-17-7-5-12)18-14-3-1-2-13(14)16(21)19-8-10-22-11-9-19/h4-7,13-14H,1-3,8-11H2,(H,18,20)/t13-,14+/m1/s1

InChI Key

VKDJIQBTELOJLM-KGLIPLIRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.395

Distribution Coefficient, logD

0.395

Water Solubility, LogSw

-1.81

Polar Surface Area

51.210

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

T987-2975 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T987-2975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T987-2975?
Check Price and Availability of T987-2975, 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 T987-2975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T987-2975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T987-2975
  • 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 T987-2975 available by request