C304-1184 Screening compound: (2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(3,5-dimethylpiperidino)methanone

C304-1184 Screening compound: (2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(3,5-dimethylpiperidino)methanone
C304-1184 Screening compound: (2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(3,5-dimethylpiperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1184
(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(3,5-dimethylpiperidino)methanone

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

C304-1184

Molecular Formula

C23H26N2OS (C23 H26 N2 OS)

Compound Name

(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)(3,5-dimethylpiperidino)methanone

IUPAC name

6-(35-dimethylpiperidine-1-carbonyl)-1013-dimethyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

CC(CC(C)C1)CN1C(c(cc1)cc2c1Sc(ccc(C)c1)c1C(C)=N2)=O

InChI

InChI=1S/C23H26N2OS/c1-14-5-7-21-19(10-14)17(4)24-20-11-18(6-8-22(20)27-21)23(26)25-12-15(2)9-16(3)13-25/h5-8,10-11,15-16H,9,12-13H2,1-4H3

InChI Key

FQGYUWMANMDLLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.433

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.33

Polar Surface Area

24.015

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

C304-1184 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C304-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1184?
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What is the minimum amount of C304-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1184
  • 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 C304-1184 available by request