6049-1190 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

6049-1190 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
6049-1190 Screening compound: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-1190
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-methylfuran-2-yl)quinoline-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

6049-1190

Molecular Formula

C28H29N3O3S (C28 H29 N3 O3 S)

Compound Name

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

IUPAC name

N-(6-tert-butyl-3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(N)=O)c(NC(c1cc(-c3ccc(C)o3)nc3ccccc13)=O)s2

InChI

InChI=1S/C28H29N3O3S/c1-15-9-12-22(34-15)21-14-19(17-7-5-6-8-20(17)30-21)26(33)31-27-24(25(29)32)18-11-10-16(28(2,3)4)13-23(18)35-27/h5-9,12,14,16H,10-11,13H2,1-4H3,(H2,29,32)(H,31,33)/t16-/m1/s1

InChI Key

PACDOAWDLPAULW-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01340754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.568

Distribution Coefficient, logD

5.320

Water Solubility, LogSw

-5.71

Polar Surface Area

73.255

Acid Dissociation Constant (pKa)

7.51

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

6049-1190 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6049-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-1190?
Check Price and Availability of 6049-1190, 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 6049-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-1190
  • 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 6049-1190 available by request