2595-1219 Screening compound: 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2595-1219 Screening compound: 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2595-1219 Screening compound: 2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2595-1219
2-[2-(4-bromo-3-methylphenoxy)acetamido]-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

2595-1219

Molecular Formula

C18H19BrN2O3S (C18 H19 BrN2 O3 S)

Compound Name

2-[2-(4-bromo-3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

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

SMILES

Cc(cc(cc1)OCC(Nc2c(C(N)=O)c(CCCC3)c3s2)=O)c1Br

InChI

InChI=1S/C18H19BrN2O3S/c1-10-8-11(6-7-13(10)19)24-9-15(22)21-18-16(17(20)23)12-4-2-3-5-14(12)25-18/h6-8H,2-5,9H2,1H3,(H2,20,23)(H,21,22)

InChI Key

GIZQXXYEVSCKIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.33

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

3.225

Distribution Coefficient, logD

2.867

Water Solubility, LogSw

-3.57

Polar Surface Area

64.389

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 2595-1219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2595-1219?
Check Price and Availability of 2595-1219, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2595-1219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2595-1219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2595-1219
  • 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 2595-1219 available by request