3360-8879 Screening compound: propyl 6-methyl-2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3360-8879 Screening compound: propyl 6-methyl-2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3360-8879 Screening compound: propyl 6-methyl-2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-8879
propyl 6-methyl-2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4,5,6,7-tetrahydro-1-benzothiophene-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

3360-8879

Molecular Formula

C32H34N2O3S (C32 H34 N2 O3 S)

Compound Name

propyl 6-methyl-2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

propyl 6-methyl-2-{2-[4-(propan-2-yl)phenyl]quinoline-4-amido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCCOC(c1c(NC(c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C32H34N2O3S/c1-5-16-37-32(36)29-24-15-10-20(4)17-28(24)38-31(29)34-30(35)25-18-27(33-26-9-7-6-8-23(25)26)22-13-11-21(12-14-22)19(2)3/h6-9,11-14,18-20H,5,10,15-17H2,1-4H3,(H,34,35)/t20-/m1/s1

InChI Key

OAIHPFOJWWGMJU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01923942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.958

Distribution Coefficient, logD

7.019

Water Solubility, LogSw

-6.03

Polar Surface Area

52.152

Acid Dissociation Constant (pKa)

5.47

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.40

3360-8879 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 3360-8879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-8879?
Check Price and Availability of 3360-8879, 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 3360-8879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-8879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-8879
  • 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 3360-8879 available by request