3365-1148 Screening compound: methyl 6-(2-methylbutan-2-yl)-2-(2-phenylquinoline-4-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3365-1148 Screening compound: methyl 6-(2-methylbutan-2-yl)-2-(2-phenylquinoline-4-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3365-1148 Screening compound: methyl 6-(2-methylbutan-2-yl)-2-(2-phenylquinoline-4-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3365-1148
methyl 6-(2-methylbutan-2-yl)-2-(2-phenylquinoline-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

3365-1148

Molecular Formula

C31H32N2O3S (C31 H32 N2 O3 S)

Compound Name

methyl 6-(2-methylbutan-2-yl)-2-(2-phenylquinoline-4-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 6-(2-methylbutan-2-yl)-2-(2-phenylquinoline-4-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C(OC)=O)c(NC(c1cc(-c3ccccc3)nc3ccccc13)=O)s2

InChI

InChI=1S/C31H32N2O3S/c1-5-31(2,3)20-15-16-22-26(17-20)37-29(27(22)30(35)36-4)33-28(34)23-18-25(19-11-7-6-8-12-19)32-24-14-10-9-13-21(23)24/h6-14,18,20H,5,15-17H2,1-4H3,(H,33,34)/t20-/m1/s1

InChI Key

AYTHORACGKOKAJ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01349318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.652

Distribution Coefficient, logD

5.713

Water Solubility, LogSw

-5.98

Polar Surface Area

52.278

Acid Dissociation Constant (pKa)

5.47

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

3365-1148 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3365-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3365-1148?
Check Price and Availability of 3365-1148, 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 3365-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3365-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3365-1148
  • 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 3365-1148 available by request