8011-9848 Screening compound: 2-({[(2-chlorophenyl)formamido]methanethioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

8011-9848 Screening compound: 2-({[(2-chlorophenyl)formamido]methanethioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
8011-9848 Screening compound: 2-({[(2-chlorophenyl)formamido]methanethioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9848
2-({[(2-chlorophenyl)formamido]methanethioyl}amino)-6-methyl-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

8011-9848

Molecular Formula

C18H18ClN3O2S2 (C18 H18 ClN3 O2 S2)

Compound Name

2-({[(2-chlorophenyl)formamido]methanethioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-({[(2-chlorophenyl)formamido]methanethioyl}amino)-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(N)=O)c(NC(NC(c(cccc1)c1Cl)=O)=S)s2

InChI

InChI=1S/C18H18ClN3O2S2/c1-9-6-7-11-13(8-9)26-17(14(11)15(20)23)22-18(25)21-16(24)10-4-2-3-5-12(10)19/h2-5,9H,6-8H2,1H3,(H2,20,23)(H2,21,22,24,25)/t9-/m1/s1

InChI Key

BKOBWMSAYXLJJL-SECBINFHSA-N

MDL Number (MFCD)

MFCD02933513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-4.05

Polar Surface Area

67.014

Acid Dissociation Constant (pKa)

6.72

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 8011-9848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9848?
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What is the minimum amount of 8011-9848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9848
  • 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 8011-9848 available by request