4473-0377 Screening compound: 6-tert-butyl-2-(furan-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

4473-0377 Screening compound: 6-tert-butyl-2-(furan-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
4473-0377 Screening compound: 6-tert-butyl-2-(furan-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4473-0377
6-tert-butyl-2-(furan-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

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

4473-0377

Molecular Formula

C18H21NO4S (C18 H21 NO4 S)

Compound Name

6-tert-butyl-2-(furan-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

IUPAC name

6-tert-butyl-2-(furan-2-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylic acid

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(O)=O)c(NC(c1ccco1)=O)s2

InChI

InChI=1S/C18H21NO4S/c1-18(2,3)10-6-7-11-13(9-10)24-16(14(11)17(21)22)19-15(20)12-5-4-8-23-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20)(H,21,22)/t10-/m1/s1

InChI Key

ACLUEOBQFRYTQS-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02919058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

0.968

Water Solubility, LogSw

-4.31

Polar Surface Area

60.031

Acid Dissociation Constant (pKa)

4.09

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

4473-0377 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Human Ion Channels Annotated Library (353 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4473-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4473-0377?
Check Price and Availability of 4473-0377, 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 4473-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4473-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4473-0377
  • 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 4473-0377 available by request