S768-0250 Screening compound: 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol

S768-0250 Screening compound: 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol
S768-0250 Screening compound: 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0250
9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol

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

S768-0250

Molecular Formula

C26H34FN3O3 (C26 H34 FN3 O3)

Compound Name

9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol

IUPAC name

9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)-234567-hexahydro-1H-1-benzazonin-7-ol

SMILES

COCCN(CCCCCC1O)c(cc2)c1cc2C(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C26H34FN3O3/c1-33-18-17-28-12-6-2-3-9-25(31)21-19-20(10-11-23(21)28)26(32)30-15-13-29(14-16-30)24-8-5-4-7-22(24)27/h4-5,7-8,10-11,19,25,31H,2-3,6,9,12-18H2,1H3/t25-/m0/s1

InChI Key

KBFLIWFMWYFOJI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD30464467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-3.97

Polar Surface Area

46.948

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S768-0250 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S768-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0250?
Check Price and Availability of S768-0250, 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 S768-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0250
  • 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 S768-0250 available by request