C304-0301 Screening compound: 11-ethyl-N~8~-{3-[4-(2-fluorophenyl)piperazino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide

C304-0301 Screening compound: 11-ethyl-N~8~-{3-[4-(2-fluorophenyl)piperazino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
C304-0301 Screening compound: 11-ethyl-N~8~-{3-[4-(2-fluorophenyl)piperazino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C304-0301
11-ethyl-N~8~-{3-[4-(2-fluorophenyl)piperazino]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

C304-0301

Molecular Formula

C29H31FN4OS (C29 H31 FN4 OS)

Compound Name

11-ethyl-N~8~-{3-[4-(2-fluorophenyl)piperazino]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

10-ethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)4691214-heptaene-6-carboxamide

SMILES

CCC1=Nc(cc(cc2)C(NCCCN(CC3)CCN3c(cccc3)c3F)=O)c2Sc2c1cccc2

InChI

InChI=1S/C29H31FN4OS/c1-2-24-22-8-3-6-11-27(22)36-28-13-12-21(20-25(28)32-24)29(35)31-14-7-15-33-16-18-34(19-17-33)26-10-5-4-9-23(26)30/h3-6,8-13,20H,2,7,14-19H2,1H3,(H,31,35)

InChI Key

DXDGRYDINFCOEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.092

Distribution Coefficient, logD

4.791

Water Solubility, LogSw

-4.70

Polar Surface Area

39.427

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

References: we are preparing a list of scientific research reports with C304-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C304-0301?
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What is the minimum amount of C304-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C304-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C304-0301
  • 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 C304-0301 available by request