C304-4794 Screening compound: N~8~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-4794 Screening compound: N~8~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-4794 Screening compound: N~8~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-4794
N~8~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-propyldibenzo[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

C304-4794

Molecular Formula

C27H26N2O3S (C27 H26 N2 O3 S)

Compound Name

N~8~-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-10-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCCC1=Nc(cc(cc2)C(NC(C)c(cc3)cc4c3OCCO4)=O)c2Sc2c1cccc2

InChI

InChI=1S/C27H26N2O3S/c1-3-6-21-20-7-4-5-8-25(20)33-26-12-10-19(15-22(26)29-21)27(30)28-17(2)18-9-11-23-24(16-18)32-14-13-31-23/h4-5,7-12,15-17H,3,6,13-14H2,1-2H3,(H,28,30)/t17-/m0/s1

InChI Key

SGQSMKISYTVROY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD26964639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

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

5.068

Distribution Coefficient, logD

5.068

Water Solubility, LogSw

-4.53

Polar Surface Area

47.630

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C304-4794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-4794?
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What is the minimum amount of C304-4794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-4794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-4794
  • 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 C304-4794 available by request