S629-1751 Screening compound: N-cyclopropyl-3-[4-(1-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide

S629-1751 Screening compound: N-cyclopropyl-3-[4-(1-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
S629-1751 Screening compound: N-cyclopropyl-3-[4-(1-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1751
N-cyclopropyl-3-[4-(1-methyl-1H-pyrazole-5-carbonyl)-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

S629-1751

Molecular Formula

C20H24N4O3 (C20 H24 N4 O3)

Compound Name

N-cyclopropyl-3-[4-(1-methyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide

IUPAC name

N-cyclopropyl-3-[4-(1-methyl-1H-pyrazole-5-carbonyl)-2345-tetrahydro-14-benzoxazepin-7-yl]propanamide

SMILES

Cn1nccc1C(N1Cc(cc(CCC(NC2CC2)=O)cc2)c2OCC1)=O

InChI

InChI=1S/C20H24N4O3/c1-23-17(8-9-21-23)20(26)24-10-11-27-18-6-2-14(12-15(18)13-24)3-7-19(25)22-16-4-5-16/h2,6,8-9,12,16H,3-5,7,10-11,13H2,1H3,(H,22,25)

InChI Key

OCOYQTJTKKAIKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-2.28

Polar Surface Area

62.737

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S629-1751 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with S629-1751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1751?
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What is the minimum amount of S629-1751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1751
  • 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 S629-1751 available by request