3379-0968 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-nitrobenzamide

3379-0968 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-nitrobenzamide
3379-0968 Screening compound: N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-0968
N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-2-nitrobenzamide

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

3379-0968

Molecular Formula

C17H15N3O3S (C17 H15 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(NC(c(cccc2)c2[N+]([O-])=O)=O)sc2c1CCCCC2

InChI

InChI=1S/C17H15N3O3S/c18-10-13-11-6-2-1-3-9-15(11)24-17(13)19-16(21)12-7-4-5-8-14(12)20(22)23/h4-5,7-8H,1-3,6,9H2,(H,19,21)

InChI Key

LJFXIALEZOGVSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02048706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

-1.193

Water Solubility, LogSw

-4.39

Polar Surface Area

73.512

Acid Dissociation Constant (pKa)

2.35

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 3379-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-0968?
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What is the minimum amount of 3379-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-0968
  • 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 3379-0968 available by request