3360-9081 Screening compound: ethyl 5-methyl-4-phenyl-2-{2-[4-(propan-2-yloxy)phenyl]quinoline-4-amido}thiophene-3-carboxylate

3360-9081 Screening compound: ethyl 5-methyl-4-phenyl-2-{2-[4-(propan-2-yloxy)phenyl]quinoline-4-amido}thiophene-3-carboxylate
3360-9081 Screening compound: ethyl 5-methyl-4-phenyl-2-{2-[4-(propan-2-yloxy)phenyl]quinoline-4-amido}thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-9081
ethyl 5-methyl-4-phenyl-2-{2-[4-(propan-2-yloxy)phenyl]quinoline-4-amido}thiophene-3-carboxylate

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

3360-9081

Molecular Formula

C33H30N2O4S (C33 H30 N2 O4 S)

Compound Name

ethyl 5-methyl-4-phenyl-2-{2-[4-(propan-2-yloxy)phenyl]quinoline-4-amido}thiophene-3-carboxylate

IUPAC name

ethyl 5-methyl-4-phenyl-2-{2-[4-(propan-2-yloxy)phenyl]quinoline-4-amido}thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cc(-c(cc3)ccc3OC(C)C)nc3ccccc23)=O)sc(C)c1-c1ccccc1)=O

InChI

InChI=1S/C33H30N2O4S/c1-5-38-33(37)30-29(23-11-7-6-8-12-23)21(4)40-32(30)35-31(36)26-19-28(34-27-14-10-9-13-25(26)27)22-15-17-24(18-16-22)39-20(2)3/h6-20H,5H2,1-4H3,(H,35,36)

InChI Key

OTXMMASJCZZGKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.150

Distribution Coefficient, logD

8.055

Water Solubility, LogSw

-5.92

Polar Surface Area

58.468

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3360-9081 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 3360-9081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-9081?
Check Price and Availability of 3360-9081, 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 3360-9081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-9081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-9081
  • 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 3360-9081 available by request