C304-3724 Screening compound: N~8~-{3-[benzyl(ethyl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-3724 Screening compound: N~8~-{3-[benzyl(ethyl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-3724 Screening compound: N~8~-{3-[benzyl(ethyl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-3724
N~8~-{3-[benzyl(ethyl)amino]propyl}-11-ethyl-2-methyldibenzo[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

C304-3724

Molecular Formula

C29H33N3OS (C29 H33 N3 OS)

Compound Name

N~8~-{3-[benzyl(ethyl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

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

SMILES

CCC1=Nc(cc(cc2)C(NCCCN(CC)Cc3ccccc3)=O)c2Sc2c1cc(C)cc2

InChI

InChI=1S/C29H33N3OS/c1-4-25-24-18-21(3)12-14-27(24)34-28-15-13-23(19-26(28)31-25)29(33)30-16-9-17-32(5-2)20-22-10-7-6-8-11-22/h6-8,10-15,18-19H,4-5,9,16-17,20H2,1-3H3,(H,30,33)

InChI Key

AFBFQWVMUFMEPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.920

Distribution Coefficient, logD

4.329

Water Solubility, LogSw

-5.37

Polar Surface Area

36.172

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with C304-3724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-3724?
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What is the minimum amount of C304-3724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-3724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-3724
  • 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 C304-3724 available by request