T651-0796 Screening compound: N-[8-(5-chlorothiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

T651-0796 Screening compound: N-[8-(5-chlorothiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
T651-0796 Screening compound: N-[8-(5-chlorothiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T651-0796
N-[8-(5-chlorothiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-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

T651-0796

Molecular Formula

C18H18ClN3O2S (C18 H18 ClN3 O2 S)

Compound Name

N-[8-(5-chlorothiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

IUPAC name

N-[(1R5S)-8-(5-chlorothiophene-2-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

SMILES

O=C(c(s1)ccc1Cl)N([C@H](CC1)C2)[C@@H]1CC2NC(c1ccncc1)=O

InChI

InChI=1S/C18H18ClN3O2S/c19-16-4-3-15(25-16)18(24)22-13-1-2-14(22)10-12(9-13)21-17(23)11-5-7-20-8-6-11/h3-8,12-14H,1-2,9-10H2,(H,21,23)/t12?,13-,14+

InChI Key

DFLKDYFJNHTGSA-AGUYFDCRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.763

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-2.80

Polar Surface Area

50.152

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

T651-0796 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T651-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T651-0796?
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What is the minimum amount of T651-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T651-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T651-0796
  • 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 T651-0796 available by request