S768-0105 Screening compound: (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-9-yl)(4-isopropylpiperazino)methanone

S768-0105 Screening compound: (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-9-yl)(4-isopropylpiperazino)methanone
S768-0105 Screening compound: (7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-9-yl)(4-isopropylpiperazino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0105
(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-9-yl)(4-isopropylpiperazino)methanone

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

S768-0105

Molecular Formula

C21H33N3O2 (C21 H33 N3 O2)

Compound Name

(7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-9-yl)(4-isopropylpiperazino)methanone

IUPAC name

1-methyl-9-[4-(propan-2-yl)piperazine-1-carbonyl]-234567-hexahydro-1H-1-benzazonin-7-ol

SMILES

CC(C)N(CC1)CCN1C(c(cc1)cc2c1N(C)CCCCCC2O)=O

InChI

InChI=1S/C21H33N3O2/c1-16(2)23-11-13-24(14-12-23)21(26)17-8-9-19-18(15-17)20(25)7-5-4-6-10-22(19)3/h8-9,15-16,20,25H,4-7,10-14H2,1-3H3/t20-/m0/s1

InChI Key

PPYCSQOGTWZHNR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30461895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.127

Distribution Coefficient, logD

1.794

Water Solubility, LogSw

-3.04

Polar Surface Area

39.247

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

S768-0105 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S768-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0105?
Check Price and Availability of S768-0105, 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 S768-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0105
  • 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 S768-0105 available by request