C304-3745 Screening compound: 11-ethyl-2-methyl-N~8~-[3-(propylsulfanyl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-3745 Screening compound: 11-ethyl-2-methyl-N~8~-[3-(propylsulfanyl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-3745 Screening compound: 11-ethyl-2-methyl-N~8~-[3-(propylsulfanyl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-3745
11-ethyl-2-methyl-N~8~-[3-(propylsulfanyl)propyl]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

C304-3745

Molecular Formula

C23H28N2OS2 (C23 H28 N2 OS2)

Compound Name

11-ethyl-2-methyl-N~8~-[3-(propylsulfanyl)propyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

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

SMILES

CCCSCCCNC(c(cc1)cc2c1Sc(ccc(C)c1)c1C(CC)=N2)=O

InChI

InChI=1S/C23H28N2OS2/c1-4-12-27-13-6-11-24-23(26)17-8-10-22-20(15-17)25-19(5-2)18-14-16(3)7-9-21(18)28-22/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,24,26)

InChI Key

NZTPRPFNMZHGER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.480

Distribution Coefficient, logD

5.479

Water Solubility, LogSw

-5.27

Polar Surface Area

32.757

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C304-3745 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C304-3745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-3745?
Check Price and Availability of C304-3745, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C304-3745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-3745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-3745
  • 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 C304-3745 available by request