C304-1181 Screening compound: (4-benzylpiperidino)(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone

C304-1181 Screening compound: (4-benzylpiperidino)(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
C304-1181 Screening compound: (4-benzylpiperidino)(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1181
(4-benzylpiperidino)(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)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

C304-1181

Molecular Formula

C28H28N2OS (C28 H28 N2 OS)

Compound Name

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

IUPAC name

6-(4-benzylpiperidine-1-carbonyl)-1013-dimethyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene

SMILES

Cc(cc1)cc2c1Sc(ccc(C(N1CCC(Cc3ccccc3)CC1)=O)c1)c1N=C2C

InChI

InChI=1S/C28H28N2OS/c1-19-8-10-26-24(16-19)20(2)29-25-18-23(9-11-27(25)32-26)28(31)30-14-12-22(13-15-30)17-21-6-4-3-5-7-21/h3-11,16,18,22H,12-15,17H2,1-2H3

InChI Key

JFOXHVJQLLIGRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.523

Distribution Coefficient, logD

6.522

Water Solubility, LogSw

-5.68

Polar Surface Area

23.877

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C304-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1181?
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What is the minimum amount of C304-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1181
  • 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 C304-1181 available by request