T651-0072 Screening compound: 3-(4-fluorobenzamido)-N-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

T651-0072 Screening compound: 3-(4-fluorobenzamido)-N-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
T651-0072 Screening compound: 3-(4-fluorobenzamido)-N-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T651-0072
3-(4-fluorobenzamido)-N-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-8-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

T651-0072

Molecular Formula

C20H28FN3O2 (C20 H28 FN3 O2)

Compound Name

3-(4-fluorobenzamido)-N-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

IUPAC name

(1R5S)-3-(4-fluorobenzamido)-N-(3-methylbutyl)-8-azabicyclo[3.2.1]octane-8-carboxamide

SMILES

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

InChI

InChI=1S/C20H28FN3O2/c1-13(2)9-10-22-20(26)24-17-7-8-18(24)12-16(11-17)23-19(25)14-3-5-15(21)6-4-14/h3-6,13,16-18H,7-12H2,1-2H3,(H,22,26)(H,23,25)/t17-,18-/m0/s1

InChI Key

IOBBCKCJUYHKFN-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.799

Distribution Coefficient, logD

2.799

Water Solubility, LogSw

-3.33

Polar Surface Area

49.961

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

2.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

T651-0072 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T651-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T651-0072?
Check Price and Availability of T651-0072, 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 T651-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T651-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T651-0072
  • 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 T651-0072 available by request