S629-1768 Screening compound: 3-{4-[2-(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N-cyclopropylpropanamide

S629-1768 Screening compound: 3-{4-[2-(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N-cyclopropylpropanamide
S629-1768 Screening compound: 3-{4-[2-(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N-cyclopropylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1768
3-{4-[2-(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N-cyclopropylpropanamide

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

S629-1768

Molecular Formula

C23H33N3O3 (C23 H33 N3 O3)

Compound Name

3-{4-[2-(azepan-1-yl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N-cyclopropylpropanamide

IUPAC name

3-{4-[2-(azepan-1-yl)acetyl]-2345-tetrahydro-14-benzoxazepin-7-yl}-N-cyclopropylpropanamide

SMILES

O=C(CCc(cc1)cc(C2)c1OCCN2C(CN1CCCCCC1)=O)NC1CC1

InChI

InChI=1S/C23H33N3O3/c27-22(24-20-7-8-20)10-6-18-5-9-21-19(15-18)16-26(13-14-29-21)23(28)17-25-11-3-1-2-4-12-25/h5,9,15,20H,1-4,6-8,10-14,16-17H2,(H,24,27)

InChI Key

RPZVBIFEGOLYDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.423

Distribution Coefficient, logD

2.285

Water Solubility, LogSw

-2.91

Polar Surface Area

52.895

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.22

S629-1768 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with S629-1768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1768?
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What is the minimum amount of S629-1768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1768
  • 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 S629-1768 available by request