S629-1679 Screening compound: N~1~-cyclopropyl-3-{4-[2-(3-pyridyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide

S629-1679 Screening compound: N~1~-cyclopropyl-3-{4-[2-(3-pyridyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
S629-1679 Screening compound: N~1~-cyclopropyl-3-{4-[2-(3-pyridyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1679
N~1~-cyclopropyl-3-{4-[2-(3-pyridyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide

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

S629-1679

Molecular Formula

C22H25N3O3 (C22 H25 N3 O3)

Compound Name

N~1~-cyclopropyl-3-{4-[2-(3-pyridyl)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide

IUPAC name

N-cyclopropyl-3-{4-[2-(pyridin-3-yl)acetyl]-2345-tetrahydro-14-benzoxazepin-7-yl}propanamide

SMILES

O=C(CCc(cc1)cc(C2)c1OCCN2C(Cc1cnccc1)=O)NC1CC1

InChI

InChI=1S/C22H25N3O3/c26-21(24-19-5-6-19)8-4-16-3-7-20-18(12-16)15-25(10-11-28-20)22(27)13-17-2-1-9-23-14-17/h1-3,7,9,12,14,19H,4-6,8,10-11,13,15H2,(H,24,26)

InChI Key

DNYMUKUTSUTPAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

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

1.829

Distribution Coefficient, logD

1.821

Water Solubility, LogSw

-1.74

Polar Surface Area

58.078

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with S629-1679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1679?
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What is the minimum amount of S629-1679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1679
  • 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 S629-1679 available by request