S629-1670 Screening compound: N-cyclopropyl-3-{4-[2-(4-fluorophenoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide

S629-1670 Screening compound: N-cyclopropyl-3-{4-[2-(4-fluorophenoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
S629-1670 Screening compound: N-cyclopropyl-3-{4-[2-(4-fluorophenoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1670
N-cyclopropyl-3-{4-[2-(4-fluorophenoxy)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

S629-1670

Molecular Formula

C23H25FN2O4 (C23 H25 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCc(cc1)cc(C2)c1OCCN2C(COc(cc1)ccc1F)=O)NC1CC1

InChI

InChI=1S/C23H25FN2O4/c24-18-3-7-20(8-4-18)30-15-23(28)26-11-12-29-21-9-1-16(13-17(21)14-26)2-10-22(27)25-19-5-6-19/h1,3-4,7-9,13,19H,2,5-6,10-12,14-15H2,(H,25,27)

InChI Key

CNWHGMAEZGVALZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-2.98

Polar Surface Area

56.059

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

S629-1670 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S629-1670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1670?
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What is the minimum amount of S629-1670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1670
  • 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 S629-1670 available by request