T974-1641 Screening compound: 5'-(3-METHYLTHIOPHENE-2-CARBONYL)-1',5',6',7'-TETRAHYDROSPIRO[CYCLOHEXANE-1,4'-IMIDAZO[4,5-C]PYRIDINE]

T974-1641 Screening compound: 5'-(3-METHYLTHIOPHENE-2-CARBONYL)-1',5',6',7'-TETRAHYDROSPIRO[CYCLOHEXANE-1,4'-IMIDAZO[4,5-C]PYRIDINE]
T974-1641 Screening compound: 5'-(3-METHYLTHIOPHENE-2-CARBONYL)-1',5',6',7'-TETRAHYDROSPIRO[CYCLOHEXANE-1,4'-IMIDAZO[4,5-C]PYRIDINE] alternative view

Chemical Structure Depiction of ChemDiv screening compound T974-1641
5'-(3-METHYLTHIOPHENE-2-CARBONYL)-1',5',6',7'-TETRAHYDROSPIRO[CYCLOHEXANE-1,4'-IMIDAZO[4,5-C]PYRIDINE]

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

T974-1641

Molecular Formula

C17H21N3OS (C17 H21 N3 OS)

Compound Name

5'-(3-METHYLTHIOPHENE-2-CARBONYL)-1',5',6',7'-TETRAHYDROSPIRO[CYCLOHEXANE-1,4'-IMIDAZO[4,5-C]PYRIDINE]

IUPAC name

5'-(3-methylthiophene-2-carbonyl)-1'5'6'7'-tetrahydrospiro[cyclohexane-14'-imidazo[45-c]pyridine]

SMILES

Cc1c(C(N(CC2)C3(CCCCC3)c3c2[nH]cn3)=O)scc1

InChI

InChI=1S/C17H21N3OS/c1-12-6-10-22-14(12)16(21)20-9-5-13-15(19-11-18-13)17(20)7-3-2-4-8-17/h6,10-11H,2-5,7-9H2,1H3,(H,18,19)

InChI Key

ZCVLILLVNBJNII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.364

Distribution Coefficient, logD

3.154

Water Solubility, LogSw

-3.43

Polar Surface Area

40.049

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

T974-1641 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Eye
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T974-1641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T974-1641?
Check Price and Availability of T974-1641, 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 T974-1641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T974-1641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T974-1641
  • 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 T974-1641 available by request