C304-0722 Screening compound: 2-chloro-N~8~-(4-chlorophenethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-0722 Screening compound: 2-chloro-N~8~-(4-chlorophenethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-0722 Screening compound: 2-chloro-N~8~-(4-chlorophenethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0722
2-chloro-N~8~-(4-chlorophenethyl)-11-ethyldibenzo[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

C304-0722

Molecular Formula

C24H20Cl2N2OS (C24 H20 Cl2 N2 OS)

Compound Name

2-chloro-N~8~-(4-chlorophenethyl)-11-ethyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

13-chloro-N-[2-(4-chlorophenyl)ethyl]-10-ethyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCC1=Nc(cc(cc2)C(NCCc(cc3)ccc3Cl)=O)c2Sc(cc2)c1cc2Cl

InChI

InChI=1S/C24H20Cl2N2OS/c1-2-20-19-14-18(26)8-10-22(19)30-23-9-5-16(13-21(23)28-20)24(29)27-12-11-15-3-6-17(25)7-4-15/h3-10,13-14H,2,11-12H2,1H3,(H,27,29)

InChI Key

WZVXPMILSLOELN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.374

Distribution Coefficient, logD

6.374

Water Solubility, LogSw

-6.14

Polar Surface Area

32.485

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C304-0722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0722?
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What is the minimum amount of C304-0722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0722
  • 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 C304-0722 available by request