C304-1338 Screening compound: 2-methyl-N~8~-(4-methylcyclohexyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-1338 Screening compound: 2-methyl-N~8~-(4-methylcyclohexyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-1338 Screening compound: 2-methyl-N~8~-(4-methylcyclohexyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-1338
2-methyl-N~8~-(4-methylcyclohexyl)-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

C304-1338

Molecular Formula

C25H30N2OS (C25 H30 N2 OS)

Compound Name

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

IUPAC name

13-methyl-N-(4-methylcyclohexyl)-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(NC3CCC(C)CC3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C25H30N2OS/c1-4-5-21-20-14-17(3)8-12-23(20)29-24-13-9-18(15-22(24)27-21)25(28)26-19-10-6-16(2)7-11-19/h8-9,12-16,19H,4-7,10-11H2,1-3H3,(H,26,28)

InChI Key

HYJPEGUNPJNTBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.266

Distribution Coefficient, logD

7.266

Water Solubility, LogSw

-5.52

Polar Surface Area

32.369

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

C304-1338 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 C304-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-1338?
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What is the minimum amount of C304-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-1338
  • 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 C304-1338 available by request