4300-0490 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4,6-trimethylbenzamide

4300-0490 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4,6-trimethylbenzamide
4300-0490 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4,6-trimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4300-0490
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4,6-trimethylbenzamide

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

4300-0490

Molecular Formula

C19H20N2OS (C19 H20 N2 OS)

Compound Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,4,6-trimethylbenzamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-246-trimethylbenzamide

SMILES

Cc1cc(C)c(C(Nc(sc2c3CCCC2)c3C#N)=O)c(C)c1

InChI

InChI=1S/C19H20N2OS/c1-11-8-12(2)17(13(3)9-11)18(22)21-19-15(10-20)14-6-4-5-7-16(14)23-19/h8-9H,4-7H2,1-3H3,(H,21,22)

InChI Key

WBKFHUBOXKXIQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01984351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.250

Distribution Coefficient, logD

1.468

Water Solubility, LogSw

-5.02

Polar Surface Area

40.101

Acid Dissociation Constant (pKa)

3.62

Base Dissociation Constant (pKb)

-6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4300-0490 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4300-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4300-0490?
Check Price and Availability of 4300-0490, 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 4300-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4300-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4300-0490
  • 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 4300-0490 available by request