S768-0036 Screening compound: 9-(azepane-1-carbonyl)-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol

S768-0036 Screening compound: 9-(azepane-1-carbonyl)-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol
S768-0036 Screening compound: 9-(azepane-1-carbonyl)-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0036
9-(azepane-1-carbonyl)-1-methyl-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

S768-0036

Molecular Formula

C20H30N2O2 (C20 H30 N2 O2)

Compound Name

9-(azepane-1-carbonyl)-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol

IUPAC name

9-(azepane-1-carbonyl)-1-methyl-234567-hexahydro-1H-1-benzazonin-7-ol

SMILES

CN(CCCCCC1O)c(cc2)c1cc2C(N1CCCCCC1)=O

InChI

InChI=1S/C20H30N2O2/c1-21-12-6-4-5-9-19(23)17-15-16(10-11-18(17)21)20(24)22-13-7-2-3-8-14-22/h10-11,15,19,23H,2-9,12-14H2,1H3/t19-/m0/s1

InChI Key

KUVLYUHGQWIIQC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD30464437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.20

Polar Surface Area

35.714

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S768-0036 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 S768-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0036?
Check Price and Availability of S768-0036, 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 S768-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0036
  • 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 S768-0036 available by request