3366-3730 Screening compound: 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide

3366-3730 Screening compound: 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide
3366-3730 Screening compound: 3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-3730
3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-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

3366-3730

Molecular Formula

C17H13ClN2O4S (C17 H13 ClN2 O4 S)

Compound Name

3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-(4-methoxy-2-nitrophenyl)-6-methyl-1-benzothiophene-2-carboxamide

SMILES

Cc(cc1)cc2c1c(Cl)c(C(Nc(ccc(OC)c1)c1[N+]([O-])=O)=O)s2

InChI

InChI=1S/C17H13ClN2O4S/c1-9-3-5-11-14(7-9)25-16(15(11)18)17(21)19-12-6-4-10(24-2)8-13(12)20(22)23/h3-8H,1-2H3,(H,19,21)

InChI Key

SCHFTTIPANJWOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01354854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.82

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

5.554

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-6.00

Polar Surface Area

64.003

Acid Dissociation Constant (pKa)

6.80

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3366-3730 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3366-3730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-3730?
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What is the minimum amount of 3366-3730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-3730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-3730
  • 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 3366-3730 available by request