1611-4611 Screening compound: 2-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropaneamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

1611-4611 Screening compound: 2-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropaneamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
1611-4611 Screening compound: 2-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropaneamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4611
2-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropaneamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-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

1611-4611

Molecular Formula

C17H20Cl2N2O2S (C17 H20 Cl2 N2 O2 S)

Compound Name

2-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropaneamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[3-(22-dichloroethenyl)-22-dimethylcyclopropaneamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)(C1C=C(Cl)Cl)C1C(Nc1c(C(N)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C17H20Cl2N2O2S/c1-17(2)9(7-11(18)19)13(17)15(23)21-16-12(14(20)22)8-5-3-4-6-10(8)24-16/h7,9,13H,3-6H2,1-2H3,(H2,20,22)(H,21,23)

InChI Key

AYKAFPCYVLBBNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

2.280

Water Solubility, LogSw

-3.91

Polar Surface Area

57.627

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

1611-4611 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1611-4611 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1611-4611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4611
  • 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 1611-4611 available by request