3366-4379 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide

3366-4379 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide
3366-4379 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3366-4379
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-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

3366-4379

Molecular Formula

C29H29N3O2S (C29 H29 N3 O2 S)

Compound Name

N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide

IUPAC name

N-(6-tert-butyl-3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)-2-phenylquinoline-4-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N)=O)c(NC(c1cc(-c3ccccc3)nc3ccccc13)=O)s2

InChI

InChI=1S/C29H29N3O2S/c1-29(2,3)18-13-14-20-24(15-18)35-28(25(20)26(30)33)32-27(34)21-16-23(17-9-5-4-6-10-17)31-22-12-8-7-11-19(21)22/h4-12,16,18H,13-15H2,1-3H3,(H2,30,33)(H,32,34)/t18-/m1/s1

InChI Key

FBCDFWLBPWAFFH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01355351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.981

Distribution Coefficient, logD

5.743

Water Solubility, LogSw

-5.78

Polar Surface Area

65.163

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

3366-4379 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 3366-4379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3366-4379?
Check Price and Availability of 3366-4379, 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 3366-4379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3366-4379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3366-4379
  • 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 3366-4379 available by request