T651-0669 Screening compound: N-{8-[2-(4-chloro-2-methylphenoxy)acetyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-methylpyrazine-2-carboxamide

T651-0669 Screening compound: N-{8-[2-(4-chloro-2-methylphenoxy)acetyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-methylpyrazine-2-carboxamide
T651-0669 Screening compound: N-{8-[2-(4-chloro-2-methylphenoxy)acetyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-methylpyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T651-0669
N-{8-[2-(4-chloro-2-methylphenoxy)acetyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-methylpyrazine-2-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

T651-0669

Molecular Formula

C22H25ClN4O3 (C22 H25 ClN4 O3)

Compound Name

N-{8-[2-(4-chloro-2-methylphenoxy)acetyl]-8-azabicyclo[3.2.1]octan-3-yl}-5-methylpyrazine-2-carboxamide

IUPAC name

N-[(1R5S)-8-[2-(4-chloro-2-methylphenoxy)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

SMILES

Cc(cc(cc1)Cl)c1OCC(N([C@H](CC1)C2)[C@@H]1CC2NC(c1ncc(C)nc1)=O)=O

InChI

InChI=1S/C22H25ClN4O3/c1-13-7-15(23)3-6-20(13)30-12-21(28)27-17-4-5-18(27)9-16(8-17)26-22(29)19-11-24-14(2)10-25-19/h3,6-7,10-11,16-18H,4-5,8-9,12H2,1-2H3,(H,26,29)/t16?,17-,18+

InChI Key

HEBRXFZGRWDBBD-AYHJJNSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.367

Distribution Coefficient, logD

2.367

Water Solubility, LogSw

-3.08

Polar Surface Area

64.845

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.50

T651-0669 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T651-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T651-0669?
Check Price and Availability of T651-0669, 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 T651-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T651-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T651-0669
  • 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 T651-0669 available by request