3360-9127 Screening compound: methyl 2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

3360-9127 Screening compound: methyl 2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
3360-9127 Screening compound: methyl 2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-9127
methyl 2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4H,5H,6H-cyclopenta[b]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

3360-9127

Molecular Formula

C28H26N2O3S (C28 H26 N2 O3 S)

Compound Name

methyl 2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CC(C)c(cc1)ccc1-c1nc2ccccc2c(C(Nc2c(C(OC)=O)c(CCC3)c3s2)=O)c1

InChI

InChI=1S/C28H26N2O3S/c1-16(2)17-11-13-18(14-12-17)23-15-21(19-7-4-5-9-22(19)29-23)26(31)30-27-25(28(32)33-3)20-8-6-10-24(20)34-27/h4-5,7,9,11-16H,6,8,10H2,1-3H3,(H,30,31)

InChI Key

DETIYGQUQNVZIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01923060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.220

Distribution Coefficient, logD

5.260

Water Solubility, LogSw

-5.93

Polar Surface Area

52.644

Acid Dissociation Constant (pKa)

5.45

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3360-9127 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3360-9127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-9127?
Check Price and Availability of 3360-9127, 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 3360-9127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-9127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-9127
  • 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 3360-9127 available by request