S555-0829 Screening compound: 1-(4-cyclohexanecarbonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-ethylurea

S555-0829 Screening compound: 1-(4-cyclohexanecarbonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-ethylurea
S555-0829 Screening compound: 1-(4-cyclohexanecarbonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound S555-0829
1-(4-cyclohexanecarbonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-ethylurea

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

S555-0829

Molecular Formula

C19H27N3O3 (C19 H27 N3 O3)

Compound Name

1-(4-cyclohexanecarbonyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)-3-ethylurea

IUPAC name

1-(4-cyclohexanecarbonyl-2345-tetrahydro-14-benzoxazepin-7-yl)-3-ethylurea

SMILES

CCNC(Nc(cc1)cc(C2)c1OCCN2C(C1CCCCC1)=O)=O

InChI

InChI=1S/C19H27N3O3/c1-2-20-19(24)21-16-8-9-17-15(12-16)13-22(10-11-25-17)18(23)14-6-4-3-5-7-14/h8-9,12,14H,2-7,10-11,13H2,1H3,(H2,20,21,24)

InChI Key

MKGLZXSYMVYECN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32224826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.228

Distribution Coefficient, logD

3.228

Water Solubility, LogSw

-3.34

Polar Surface Area

58.546

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with S555-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S555-0829?
Check Price and Availability of S555-0829, 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 S555-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S555-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S555-0829
  • 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 S555-0829 available by request