S629-1758 Screening compound: N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide

S629-1758 Screening compound: N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
S629-1758 Screening compound: N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1758
N-cyclopropyl-3-[4-(1-ethyl-1H-pyrazole-3-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

S629-1758

Molecular Formula

C21H26N4O3 (C21 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn(cc1)nc1C(N1Cc(cc(CCC(NC2CC2)=O)cc2)c2OCC1)=O

InChI

InChI=1S/C21H26N4O3/c1-2-25-10-9-18(23-25)21(27)24-11-12-28-19-7-3-15(13-16(19)14-24)4-8-20(26)22-17-5-6-17/h3,7,9-10,13,17H,2,4-6,8,11-12,14H2,1H3,(H,22,26)

InChI Key

LVSYHRYGJYKIAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31990173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

1.684

Water Solubility, LogSw

-2.41

Polar Surface Area

63.472

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

S629-1758 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S629-1758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1758?
Check Price and Availability of S629-1758, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S629-1758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1758
  • 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 S629-1758 available by request