S768-0272 Screening compound: 7-HYDROXY-1-(2-METHOXYETHYL)-N-[2-(PYRROLIDIN-1-YL)ETHYL]-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONINE-9-CARBOXAMIDE

S768-0272 Screening compound: 7-HYDROXY-1-(2-METHOXYETHYL)-N-[2-(PYRROLIDIN-1-YL)ETHYL]-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONINE-9-CARBOXAMIDE
S768-0272 Screening compound: 7-HYDROXY-1-(2-METHOXYETHYL)-N-[2-(PYRROLIDIN-1-YL)ETHYL]-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONINE-9-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S768-0272
7-HYDROXY-1-(2-METHOXYETHYL)-N-[2-(PYRROLIDIN-1-YL)ETHYL]-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

S768-0272

Molecular Formula

C22H35N3O3 (C22 H35 N3 O3)

Compound Name

7-HYDROXY-1-(2-METHOXYETHYL)-N-[2-(PYRROLIDIN-1-YL)ETHYL]-2,3,4,5,6,7-HEXAHYDRO-1H-1-BENZAZONINE-9-CARBOXAMIDE

IUPAC name

n/a

SMILES

COCCN(CCCCCC1O)c(cc2)c1cc2C(NCCN1CCCC1)=O

InChI

InChI=1S/C22H35N3O3/c1-28-16-15-25-13-4-2-3-7-21(26)19-17-18(8-9-20(19)25)22(27)23-10-14-24-11-5-6-12-24/h8-9,17,21,26H,2-7,10-16H2,1H3,(H,23,27)/t21-/m0/s1

InChI Key

VBDPFQQCDSLQPY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD30464473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.409

Distribution Coefficient, logD

1.001

Water Solubility, LogSw

-2.97

Polar Surface Area

55.944

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

S768-0272 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 S768-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S768-0272?
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What is the minimum amount of S768-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S768-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S768-0272
  • 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 S768-0272 available by request