4478-6499 Screening compound: 2-[2-(3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4478-6499 Screening compound: 2-[2-(3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4478-6499 Screening compound: 2-[2-(3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-6499
2-[2-(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

4478-6499

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCC(Nc2c(C(N)=O)c(CCCC3)c3s2)=O)c1

InChI

InChI=1S/C18H20N2O3S/c1-11-5-4-6-12(9-11)23-10-15(21)20-18-16(17(19)22)13-7-2-3-8-14(13)24-18/h4-6,9H,2-3,7-8,10H2,1H3,(H2,19,22)(H,20,21)

InChI Key

KXPFOFQSHZMWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02157336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

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

2.493

Distribution Coefficient, logD

2.135

Water Solubility, LogSw

-2.88

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 4478-6499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-6499?
Check Price and Availability of 4478-6499, 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 4478-6499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-6499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-6499
  • 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 4478-6499 available by request