S768-0211 Screening compound: 1-(2-methoxyethyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol

S768-0211 Screening compound: 1-(2-methoxyethyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol
S768-0211 Screening compound: 1-(2-methoxyethyl)-9-[4-(pyridin-2-yl)piperazine-1-carbonyl]-2,3,4,5,6,7-hexahydro-1H-1-benzazonin-7-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0211
1-(2-methoxyethyl)-9-[4-(pyridin-2-yl)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

S768-0211

Molecular Formula

C25H34N4O3 (C25 H34 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCN(CCCCCC1O)c(cc2)c1cc2C(N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C25H34N4O3/c1-32-18-17-27-12-6-2-3-7-23(30)21-19-20(9-10-22(21)27)25(31)29-15-13-28(14-16-29)24-8-4-5-11-26-24/h4-5,8-11,19,23,30H,2-3,6-7,12-18H2,1H3/t23-/m0/s1

InChI Key

KNGPORQRZBDWOB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD30464452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.41

Polar Surface Area

55.760

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

S768-0211 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 S768-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0211?
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What is the minimum amount of S768-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0211
  • 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 S768-0211 available by request