S555-1838 Screening compound: 4-cyclopentanecarbonyl-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine

S555-1838 Screening compound: 4-cyclopentanecarbonyl-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
S555-1838 Screening compound: 4-cyclopentanecarbonyl-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S555-1838
4-cyclopentanecarbonyl-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine

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

S555-1838

Molecular Formula

C17H24N2O2 (C17 H24 N2 O2)

Compound Name

4-cyclopentanecarbonyl-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine

IUPAC name

4-cyclopentanecarbonyl-NN-dimethyl-2345-tetrahydro-14-benzoxazepin-7-amine

SMILES

CN(C)c(cc1)cc(C2)c1OCCN2C(C1CCCC1)=O

InChI

InChI=1S/C17H24N2O2/c1-18(2)15-7-8-16-14(11-15)12-19(9-10-21-16)17(20)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10,12H2,1-2H3

InChI Key

VBQFRJBCJNWXSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.241

Distribution Coefficient, logD

3.235

Water Solubility, LogSw

-3.14

Polar Surface Area

28.194

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

11.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

References: we are preparing a list of scientific research reports with S555-1838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S555-1838?
Check Price and Availability of S555-1838, 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 S555-1838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S555-1838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S555-1838
  • 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 S555-1838 available by request