5350-0099 Screening compound: 3-amino-6-ethyl-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

5350-0099 Screening compound: 3-amino-6-ethyl-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide
5350-0099 Screening compound: 3-amino-6-ethyl-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5350-0099
3-amino-6-ethyl-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-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

5350-0099

Molecular Formula

C21H20F3N3OS (C21 H20 F3 N3 OS)

Compound Name

3-amino-6-ethyl-N-[2-(trifluoromethyl)phenyl]-5H,6H,7H,8H-thieno[2,3-b]quinoline-2-carboxamide

IUPAC name

3-amino-6-ethyl-N-[2-(trifluoromethyl)phenyl]-5H6H7H8H-thieno[23-b]quinoline-2-carboxamide

SMILES

CCC(CC1)Cc(cc23)c1nc2sc(C(Nc1c(C(F)(F)F)cccc1)=O)c3N

InChI

InChI=1S/C21H20F3N3OS/c1-2-11-7-8-15-12(9-11)10-13-17(25)18(29-20(13)27-15)19(28)26-16-6-4-3-5-14(16)21(22,23)24/h3-6,10-11H,2,7-9,25H2,1H3,(H,26,28)/t11-/m1/s1

InChI Key

AURMOROKQGKJQN-LLVKDONJSA-N

MDL Number (MFCD)

MFCD03075847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.778

Distribution Coefficient, logD

5.775

Water Solubility, LogSw

-5.67

Polar Surface Area

53.160

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

5350-0099 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5350-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5350-0099?
Check Price and Availability of 5350-0099, 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 5350-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5350-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5350-0099
  • 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 5350-0099 available by request