S629-1849 Screening compound: 7-[2-(cyclopropylcarbamoyl)ethyl]-N-(3-methoxypropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

S629-1849 Screening compound: 7-[2-(cyclopropylcarbamoyl)ethyl]-N-(3-methoxypropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
S629-1849 Screening compound: 7-[2-(cyclopropylcarbamoyl)ethyl]-N-(3-methoxypropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1849
7-[2-(cyclopropylcarbamoyl)ethyl]-N-(3-methoxypropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

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

S629-1849

Molecular Formula

C20H29N3O4 (C20 H29 N3 O4)

Compound Name

7-[2-(cyclopropylcarbamoyl)ethyl]-N-(3-methoxypropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

7-[2-(cyclopropylcarbamoyl)ethyl]-N-(3-methoxypropyl)-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-26-11-2-9-21-20(25)23-10-12-27-18-7-3-15(13-16(18)14-23)4-8-19(24)22-17-5-6-17/h3,7,13,17H,2,4-6,8-12,14H2,1H3,(H,21,25)(H,22,24)

InChI Key

NCQGMVQOZJNHOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-2.71

Polar Surface Area

67.686

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S629-1849 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 S629-1849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1849?
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What is the minimum amount of S629-1849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1849
  • 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 S629-1849 available by request