T651-0586 Screening compound: ethyl 3-{[3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]amino}propanoate

T651-0586 Screening compound: ethyl 3-{[3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]amino}propanoate
T651-0586 Screening compound: ethyl 3-{[3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T651-0586
ethyl 3-{[3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]amino}propanoate

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

T651-0586

Molecular Formula

C20H26FN3O4 (C20 H26 FN3 O4)

Compound Name

ethyl 3-{[3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]amino}propanoate

IUPAC name

ethyl 3-{[(1R5S)-3-(4-fluorobenzamido)-8-azabicyclo[3.2.1]octane-8-carbonyl]amino}propanoate

SMILES

CCOC(CCNC(N([C@H](CC1)C2)[C@@H]1CC2NC(c(cc1)ccc1F)=O)=O)=O

InChI

InChI=1S/C20H26FN3O4/c1-2-28-18(25)9-10-22-20(27)24-16-7-8-17(24)12-15(11-16)23-19(26)13-3-5-14(21)6-4-13/h3-6,15-17H,2,7-12H2,1H3,(H,22,27)(H,23,26)/t16-,17-/m0/s1

InChI Key

ZIPNLGOIJWVUKA-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.405

Distribution Coefficient, logD

1.405

Water Solubility, LogSw

-2.20

Polar Surface Area

70.120

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

T651-0586 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with T651-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T651-0586?
Check Price and Availability of T651-0586, 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 T651-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T651-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T651-0586
  • 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 T651-0586 available by request