S768-0022 Screening compound: N-(CYCLOPROPYLMETHYL)-7-HYDROXY-1-METHYL-N-PROPYL-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONINE-9-CARBOXAMIDE

S768-0022 Screening compound: N-(CYCLOPROPYLMETHYL)-7-HYDROXY-1-METHYL-N-PROPYL-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONINE-9-CARBOXAMIDE
S768-0022 Screening compound: N-(CYCLOPROPYLMETHYL)-7-HYDROXY-1-METHYL-N-PROPYL-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONINE-9-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0022
N-(CYCLOPROPYLMETHYL)-7-HYDROXY-1-METHYL-N-PROPYL-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONINE-9-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

S768-0022

Molecular Formula

C21H32N2O2 (C21 H32 N2 O2)

Compound Name

N-(CYCLOPROPYLMETHYL)-7-HYDROXY-1-METHYL-N-PROPYL-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONINE-9-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCCN(CC1CC1)C(c(cc1)cc2c1N(C)CCCCCC2O)=O

InChI

InChI=1S/C21H32N2O2/c1-3-12-23(15-16-8-9-16)21(25)17-10-11-19-18(14-17)20(24)7-5-4-6-13-22(19)2/h10-11,14,16,20,24H,3-9,12-13,15H2,1-2H3/t20-/m0/s1

InChI Key

ZFHIDTSWWMPKNE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD30464435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.444

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.66

Polar Surface Area

35.447

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

S768-0022 in Drug Discovery

Included in Screening Libraries

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

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

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S768-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0022?
Check Price and Availability of S768-0022, 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 S768-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0022
  • 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 S768-0022 available by request