3366-5383 Screening compound: 4-chloro-N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-nitrobenzamide

3366-5383 Screening compound: 4-chloro-N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-nitrobenzamide
3366-5383 Screening compound: 4-chloro-N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-5383
4-chloro-N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-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

3366-5383

Molecular Formula

C18H16ClN3O3S (C18 H16 ClN3 O3 S)

Compound Name

4-chloro-N-{3-cyano-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophen-2-yl}-3-nitrobenzamide

IUPAC name

4-chloro-N-{3-cyano-4H5H6H7H8H9H-cycloocta[b]thiophen-2-yl}-3-nitrobenzamide

SMILES

N#Cc1c(NC(c(cc2)cc([N+]([O-])=O)c2Cl)=O)sc2c1CCCCCC2

InChI

InChI=1S/C18H16ClN3O3S/c19-14-8-7-11(9-15(14)22(24)25)17(23)21-18-13(10-20)12-5-3-1-2-4-6-16(12)26-18/h7-9H,1-6H2,(H,21,23)

InChI Key

MJOMMGMXASLJSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01356080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.86

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

4.884

Distribution Coefficient, logD

0.202

Water Solubility, LogSw

-5.27

Polar Surface Area

73.512

Acid Dissociation Constant (pKa)

2.72

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 3366-5383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-5383?
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What is the minimum amount of 3366-5383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-5383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-5383
  • 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 3366-5383 available by request