S555-1981 Screening compound: N-{4-[(1-isopropyl-1H-indol-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylamine

S555-1981 Screening compound: N-{4-[(1-isopropyl-1H-indol-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylamine
S555-1981 Screening compound: N-{4-[(1-isopropyl-1H-indol-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S555-1981
N-{4-[(1-isopropyl-1H-indol-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylamine

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

S555-1981

Molecular Formula

C23H29N3O (C23 H29 N3 O)

Compound Name

N-{4-[(1-isopropyl-1H-indol-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-N,N-dimethylamine

IUPAC name

n/a

SMILES

CC(C)n1c(cccc2)c2c(CN2Cc(cc(cc3)N(C)C)c3OCC2)c1

InChI

InChI=1S/C23H29N3O/c1-17(2)26-16-19(21-7-5-6-8-22(21)26)15-25-11-12-27-23-10-9-20(24(3)4)13-18(23)14-25/h5-10,13,16-17H,11-12,14-15H2,1-4H3

InChI Key

PFTLIVNELCZJBV-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.642

Distribution Coefficient, logD

-1.609

Water Solubility, LogSw

-4.32

Polar Surface Area

17.515

Acid Dissociation Constant (pKa)

26.43

Base Dissociation Constant (pKb)

13.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

S555-1981 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 S555-1981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S555-1981?
Check Price and Availability of S555-1981, 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 S555-1981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S555-1981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S555-1981
  • 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 S555-1981 available by request