S768-0110 Screening compound: 1-METHYL-9-[4-(2-METHYLPROPYL)PIPERAZINE-1-CARBONYL]-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONIN-7-OL

S768-0110 Screening compound: 1-METHYL-9-[4-(2-METHYLPROPYL)PIPERAZINE-1-CARBONYL]-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONIN-7-OL
S768-0110 Screening compound: 1-METHYL-9-[4-(2-METHYLPROPYL)PIPERAZINE-1-CARBONYL]-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONIN-7-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0110
1-METHYL-9-[4-(2-METHYLPROPYL)PIPERAZINE-1-CARBONYL]-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

S768-0110

Molecular Formula

C22H35N3O2 (C22 H35 N3 O2)

Compound Name

1-METHYL-9-[4-(2-METHYLPROPYL)PIPERAZINE-1-CARBONYL]-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONIN-7-OL

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C22H35N3O2/c1-17(2)16-24-11-13-25(14-12-24)22(27)18-8-9-20-19(15-18)21(26)7-5-4-6-10-23(20)3/h8-9,15,17,21,26H,4-7,10-14,16H2,1-3H3/t21-/m0/s1

InChI Key

NMFJGEAXXZKXSD-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30461674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.567

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-2.97

Polar Surface Area

39.195

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

S768-0110 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S768-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0110?
Check Price and Availability of S768-0110, 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 S768-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0110
  • 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 S768-0110 available by request