8011-9434 Screening compound: 2-{[2-(2-bromo-4-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

8011-9434 Screening compound: 2-{[2-(2-bromo-4-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
8011-9434 Screening compound: 2-{[2-(2-bromo-4-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9434
2-{[2-(2-bromo-4-chlorophenoxy)acetyl]amino}-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

8011-9434

Molecular Formula

C17H16BrClN2O3S (C17 H16 BrClN2 O3 S)

Compound Name

2-{[2-(2-bromo-4-chlorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[2-(2-bromo-4-chlorophenoxy)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NC(c1c(NC(COc(ccc(Cl)c2)c2Br)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C17H16BrClN2O3S/c18-11-7-9(19)5-6-12(11)24-8-14(22)21-17-15(16(20)23)10-3-1-2-4-13(10)25-17/h5-7H,1-4,8H2,(H2,20,23)(H,21,22)

InChI Key

XEODLAWCPBEFCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.94

Polar Surface Area

64.476

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with 8011-9434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9434?
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What is the minimum amount of 8011-9434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9434
  • 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 8011-9434 available by request