C304-1362 Screening compound: 2-methyl-N~8~-[3-(2-methylpiperidino)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-1362 Screening compound: 2-methyl-N~8~-[3-(2-methylpiperidino)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-1362 Screening compound: 2-methyl-N~8~-[3-(2-methylpiperidino)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1362
2-methyl-N~8~-[3-(2-methylpiperidino)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

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

C304-1362

Molecular Formula

C27H35N3OS (C27 H35 N3 OS)

Compound Name

2-methyl-N~8~-[3-(2-methylpiperidino)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

13-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-10-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCCC1=Nc(cc(cc2)C(NCCCN3C(C)CCCC3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C27H35N3OS/c1-4-8-23-22-17-19(2)10-12-25(22)32-26-13-11-21(18-24(26)29-23)27(31)28-14-7-16-30-15-6-5-9-20(30)3/h10-13,17-18,20H,4-9,14-16H2,1-3H3,(H,28,31)/t20-/m0/s1

InChI Key

KZSDSGQTWWXCQV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD26964541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.581

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-5.24

Polar Surface Area

35.919

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

10.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

C304-1362 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C304-1362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1362?
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What is the minimum amount of C304-1362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1362
  • 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 C304-1362 available by request