2043-0711 Screening compound: 4-tert-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

2043-0711 Screening compound: 4-tert-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
2043-0711 Screening compound: 4-tert-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2043-0711
4-tert-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

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

2043-0711

Molecular Formula

C21H24N2OS (C21 H24 N2 OS)

Compound Name

4-tert-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

IUPAC name

4-tert-butyl-N-(3-cyano-6-methyl-4567-tetrahydro-1-benzothiophen-2-yl)benzamide

SMILES

CC(CC1)Cc2c1c(C#N)c(NC(c1ccc(C(C)(C)C)cc1)=O)s2

InChI

InChI=1S/C21H24N2OS/c1-13-5-10-16-17(12-22)20(25-18(16)11-13)23-19(24)14-6-8-15(9-7-14)21(2,3)4/h6-9,13H,5,10-11H2,1-4H3,(H,23,24)/t13-/m1/s1

InChI Key

ZKWDKRJPRWGQIC-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD00687539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.906

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-5.58

Polar Surface Area

40.101

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-6.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

2043-0711 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 2043-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2043-0711?
Check Price and Availability of 2043-0711, 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 2043-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2043-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2043-0711
  • 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 2043-0711 available by request