3448-7018 Screening compound: 2-[2-(4-chloro-3-methylphenoxy)propanamido]-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

3448-7018 Screening compound: 2-[2-(4-chloro-3-methylphenoxy)propanamido]-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide
3448-7018 Screening compound: 2-[2-(4-chloro-3-methylphenoxy)propanamido]-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-7018
2-[2-(4-chloro-3-methylphenoxy)propanamido]-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-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

3448-7018

Molecular Formula

C21H25ClN2O3S (C21 H25 ClN2 O3 S)

Compound Name

2-[2-(4-chloro-3-methylphenoxy)propanamido]-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

IUPAC name

2-[2-(4-chloro-3-methylphenoxy)propanamido]-4H5H6H7H8H9H-cycloocta[b]thiophene-3-carboxamide

SMILES

CC(C(Nc1c(C(N)=O)c(CCCCCC2)c2s1)=O)Oc(cc1)cc(C)c1Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-12-11-14(9-10-16(12)22)27-13(2)20(26)24-21-18(19(23)25)15-7-5-3-4-6-8-17(15)28-21/h9-11,13H,3-8H2,1-2H3,(H2,23,25)(H,24,26)/t13-/m0/s1

InChI Key

SQZNOIZOEFUARO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01928974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.96

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

4.540

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.71

Polar Surface Area

64.224

Acid Dissociation Constant (pKa)

7.04

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

3448-7018 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3448-7018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-7018?
Check Price and Availability of 3448-7018, 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 3448-7018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-7018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-7018
  • 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 3448-7018 available by request