T974-1853 Screening compound: 1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one

T974-1853 Screening compound: 1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
T974-1853 Screening compound: 1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T974-1853
1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one

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

T974-1853

Molecular Formula

C19H20F3N3O2 (C19 H20 F3 N3 O2)

Compound Name

1-{1',5',6',7'-tetrahydrospiro[cyclopentane-1,4'-imidazo[4,5-c]pyridin]-5'-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one

IUPAC name

1-{1'5'6'7'-tetrahydrospiro[cyclopentane-14'-imidazo[45-c]pyridin]-5'-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one

SMILES

O=C(Cc(cc1)ccc1OC(F)(F)F)N(CC1)C2(CCCC2)c2c1[nH]cn2

InChI

InChI=1S/C19H20F3N3O2/c20-19(21,22)27-14-5-3-13(4-6-14)11-16(26)25-10-7-15-17(24-12-23-15)18(25)8-1-2-9-18/h3-6,12H,1-2,7-11H2,(H,23,24)

InChI Key

WZCLKVQKZARBBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.039

Distribution Coefficient, logD

3.057

Water Solubility, LogSw

-4.19

Polar Surface Area

44.806

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

T974-1853 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T974-1853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T974-1853?
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What is the minimum amount of T974-1853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T974-1853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T974-1853
  • 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 T974-1853 available by request