4488-1774 Screening compound: ethyl 4-[2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate

4488-1774 Screening compound: ethyl 4-[2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate
4488-1774 Screening compound: ethyl 4-[2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1774
ethyl 4-[2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate

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

4488-1774

Molecular Formula

C26H25FN2O4S (C26 H25 FN2 O4 S)

Compound Name

ethyl 4-[2-(2-fluorobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-amido]benzoate

IUPAC name

ethyl 4-[2-(2-fluorobenzamido)-6-methyl-4567-tetrahydro-1-benzothiophene-3-amido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c1c(NC(c(cccc2)c2F)=O)sc2c1CCC(C)C2)=O)=O

InChI

InChI=1S/C26H25FN2O4S/c1-3-33-26(32)16-9-11-17(12-10-16)28-24(31)22-19-13-8-15(2)14-21(19)34-25(22)29-23(30)18-6-4-5-7-20(18)27/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,28,31)(H,29,30)/t15-/m1/s1

InChI Key

BYCYLKWRGLDZOT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02956452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.060

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-5.52

Polar Surface Area

66.889

Acid Dissociation Constant (pKa)

5.39

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

4488-1774 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4488-1774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1774?
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What is the minimum amount of 4488-1774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1774
  • 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 4488-1774 available by request