C304-0142 Screening compound: N~8~-(2,2-dimethoxyethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-0142 Screening compound: N~8~-(2,2-dimethoxyethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-0142 Screening compound: N~8~-(2,2-dimethoxyethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0142
N~8~-(2,2-dimethoxyethyl)-11-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

C304-0142

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

N~8~-(2,2-dimethoxyethyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-(22-dimethoxyethyl)-10-methyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CC1=Nc(cc(cc2)C(NCC(OC)OC)=O)c2Sc2c1cccc2

InChI

InChI=1S/C19H20N2O3S/c1-12-14-6-4-5-7-16(14)25-17-9-8-13(10-15(17)21-12)19(22)20-11-18(23-2)24-3/h4-10,18H,11H2,1-3H3,(H,20,22)

InChI Key

KABVWGBFSMEESN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-3.37

Polar Surface Area

47.680

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C304-0142 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C304-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0142?
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What is the minimum amount of C304-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0142
  • 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 C304-0142 available by request