C304-2175 Screening compound: 2-bromo-11-ethyl-N~8~-(2-thienylmethyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-2175 Screening compound: 2-bromo-11-ethyl-N~8~-(2-thienylmethyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-2175 Screening compound: 2-bromo-11-ethyl-N~8~-(2-thienylmethyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-2175
2-bromo-11-ethyl-N~8~-(2-thienylmethyl)dibenzo[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

C304-2175

Molecular Formula

C21H17BrN2OS2 (C21 H17 BrN2 OS2)

Compound Name

2-bromo-11-ethyl-N~8~-(2-thienylmethyl)dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

13-bromo-10-ethyl-N-[(thiophen-2-yl)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(NCc3cccs3)=O)c2Sc(cc2)c1cc2Br

InChI

InChI=1S/C21H17BrN2OS2/c1-2-17-16-11-14(22)6-8-19(16)27-20-7-5-13(10-18(20)24-17)21(25)23-12-15-4-3-9-26-15/h3-11H,2,12H2,1H3,(H,23,25)

InChI Key

QNIBRJFZJNPDSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.41

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

6.018

Distribution Coefficient, logD

6.017

Water Solubility, LogSw

-5.43

Polar Surface Area

33.662

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C304-2175 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C304-2175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-2175?
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What is the minimum amount of C304-2175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-2175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-2175
  • 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 C304-2175 available by request