C304-4784 Screening compound: N~8~-(1-methyl-3-phenylpropyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-4784 Screening compound: N~8~-(1-methyl-3-phenylpropyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-4784 Screening compound: N~8~-(1-methyl-3-phenylpropyl)-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-4784
N~8~-(1-methyl-3-phenylpropyl)-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

C304-4784

Molecular Formula

C27H28N2OS (C27 H28 N2 OS)

Compound Name

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

IUPAC name

N-(4-phenylbutan-2-yl)-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(NC(C)CCc3ccccc3)=O)c2Sc2c1cccc2

InChI

InChI=1S/C27H28N2OS/c1-3-9-23-22-12-7-8-13-25(22)31-26-17-16-21(18-24(26)29-23)27(30)28-19(2)14-15-20-10-5-4-6-11-20/h4-8,10-13,16-19H,3,9,14-15H2,1-2H3,(H,28,30)/t19-/m0/s1

InChI Key

UUOHEINWRBLGHV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD26964631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.299

Distribution Coefficient, logD

6.299

Water Solubility, LogSw

-5.49

Polar Surface Area

32.085

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C304-4784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-4784?
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What is the minimum amount of C304-4784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-4784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-4784
  • 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 C304-4784 available by request