S555-2060 Screening compound: 4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine

S555-2060 Screening compound: 4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine
S555-2060 Screening compound: 4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S555-2060
4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-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

S555-2060

Molecular Formula

C16H22N4O3S (C16 H22 N4 O3 S)

Compound Name

4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-N,N-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-amine

IUPAC name

4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-NN-dimethyl-2345-tetrahydro-14-benzoxazepin-7-amine

SMILES

CCn1ncc(S(N2Cc(cc(cc3)N(C)C)c3OCC2)(=O)=O)c1

InChI

InChI=1S/C16H22N4O3S/c1-4-19-12-15(10-17-19)24(21,22)20-7-8-23-16-6-5-14(18(2)3)9-13(16)11-20/h5-6,9-10,12H,4,7-8,11H2,1-3H3

InChI Key

ZODYFBPJOBLBQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31961792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-2.48

Polar Surface Area

57.200

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

10.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

S555-2060 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 S555-2060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S555-2060?
Check Price and Availability of S555-2060, 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 S555-2060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S555-2060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S555-2060
  • 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 S555-2060 available by request