S629-1846 Screening compound: 7-[2-(cyclopropylcarbamoyl)ethyl]-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

S629-1846 Screening compound: 7-[2-(cyclopropylcarbamoyl)ethyl]-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
S629-1846 Screening compound: 7-[2-(cyclopropylcarbamoyl)ethyl]-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S629-1846
7-[2-(cyclopropylcarbamoyl)ethyl]-N,N-dimethyl-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

S629-1846

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

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

IUPAC name

7-[2-(cyclopropylcarbamoyl)ethyl]-NN-dimethyl-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

CN(C)C(N1Cc(cc(CCC(NC2CC2)=O)cc2)c2OCC1)=O

InChI

InChI=1S/C18H25N3O3/c1-20(2)18(23)21-9-10-24-16-7-3-13(11-14(16)12-21)4-8-17(22)19-15-5-6-15/h3,7,11,15H,4-6,8-10,12H2,1-2H3,(H,19,22)

InChI Key

QSKQQIJPTXROJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.717

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-2.48

Polar Surface Area

50.245

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

S629-1846 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S629-1846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S629-1846?
Check Price and Availability of S629-1846, 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 S629-1846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S629-1846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S629-1846
  • 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 S629-1846 available by request