4473-0166 Screening compound: 6-tert-butyl-N,N-diethyl-2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4473-0166 Screening compound: 6-tert-butyl-N,N-diethyl-2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4473-0166 Screening compound: 6-tert-butyl-N,N-diethyl-2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4473-0166
6-tert-butyl-N,N-diethyl-2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-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

4473-0166

Molecular Formula

C24H31FN2O2S (C24 H31 FN2 O2 S)

Compound Name

6-tert-butyl-N,N-diethyl-2-(2-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

6-tert-butyl-NN-diethyl-2-(2-fluorobenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCN(CC)C(c1c(NC(c(cccc2)c2F)=O)sc(C2)c1CCC2C(C)(C)C)=O

InChI

InChI=1S/C24H31FN2O2S/c1-6-27(7-2)23(29)20-17-13-12-15(24(3,4)5)14-19(17)30-22(20)26-21(28)16-10-8-9-11-18(16)25/h8-11,15H,6-7,12-14H2,1-5H3,(H,26,28)/t15-/m1/s1

InChI Key

KZNZFFWQLLPOQM-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03199184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-5.39

Polar Surface Area

38.977

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

4473-0166 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4473-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4473-0166?
Check Price and Availability of 4473-0166, 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 4473-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4473-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4473-0166
  • 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 4473-0166 available by request