3365-1258 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3,4,5-triethoxybenzamide

3365-1258 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3,4,5-triethoxybenzamide
3365-1258 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3,4,5-triethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3365-1258
N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3,4,5-triethoxybenzamide

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

3365-1258

Molecular Formula

C23H28N2O4S (C23 H28 N2 O4 S)

Compound Name

N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3,4,5-triethoxybenzamide

IUPAC name

N-{3-cyano-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl}-345-triethoxybenzamide

SMILES

CCOc1cc(C(Nc(sc2c3CCCCC2)c3C#N)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H28N2O4S/c1-4-27-18-12-15(13-19(28-5-2)21(18)29-6-3)22(26)25-23-17(14-24)16-10-8-7-9-11-20(16)30-23/h12-13H,4-11H2,1-3H3,(H,25,26)

InChI Key

MLGUVBBCZOZULH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01349394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.913

Distribution Coefficient, logD

3.793

Water Solubility, LogSw

-4.51

Polar Surface Area

62.149

Acid Dissociation Constant (pKa)

6.31

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 3365-1258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3365-1258?
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What is the minimum amount of 3365-1258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3365-1258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3365-1258
  • 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 3365-1258 available by request