CM3852-5326 Screening compound: 1'-ISOBUTYL-4-(2-THIENYLSULFONYL)-4,5-DIHYDRO-3H-SPIRO[1,4-BENZOXAZEPINE-2,4'-PIPERIDINE]

CM3852-5326 Screening compound: 1'-ISOBUTYL-4-(2-THIENYLSULFONYL)-4,5-DIHYDRO-3H-SPIRO[1,4-BENZOXAZEPINE-2,4'-PIPERIDINE]
CM3852-5326 Screening compound: 1'-ISOBUTYL-4-(2-THIENYLSULFONYL)-4,5-DIHYDRO-3H-SPIRO[1,4-BENZOXAZEPINE-2,4'-PIPERIDINE] alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3852-5326
1'-ISOBUTYL-4-(2-THIENYLSULFONYL)-4,5-DIHYDRO-3H-SPIRO[1,4-BENZOXAZEPINE-2,4'-PIPERIDINE]

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

CM3852-5326

Molecular Formula

C21H28N2O3S2 (C21 H28 N2 O3 S2)

Compound Name

1'-ISOBUTYL-4-(2-THIENYLSULFONYL)-4,5-DIHYDRO-3H-SPIRO[1,4-BENZOXAZEPINE-2,4'-PIPERIDINE]

IUPAC name

1'-(2-methylpropyl)-4-(thiophene-2-sulfonyl)-45-dihydro-3H-spiro[14-benzoxazepine-24'-piperidine]

SMILES

CC(C)CN(CC1)CCC1(CN(C1)S(c2cccs2)(=O)=O)Oc2c1cccc2

InChI

InChI=1S/C21H28N2O3S2/c1-17(2)14-22-11-9-21(10-12-22)16-23(28(24,25)20-8-5-13-27-20)15-18-6-3-4-7-19(18)26-21/h3-8,13,17H,9-12,14-16H2,1-2H3

InChI Key

NCGSCMJPMMMIEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30467274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.127

Distribution Coefficient, logD

1.794

Water Solubility, LogSw

-4.22

Polar Surface Area

42.521

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

9.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

CM3852-5326 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with CM3852-5326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3852-5326?
Check Price and Availability of CM3852-5326, 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 CM3852-5326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3852-5326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3852-5326
  • 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 CM3852-5326 available by request