6466-0052 Screening compound: ethyl 2-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

6466-0052 Screening compound: ethyl 2-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
6466-0052 Screening compound: ethyl 2-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0052
ethyl 2-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

6466-0052

Molecular Formula

C21H24F3N3O3S (C21 H24 F3 N3 O3 S)

Compound Name

ethyl 2-{2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[3-(trifluoromethyl)-4567-tetrahydro-1H-indazol-1-yl]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(Cn2nc(C(F)(F)F)c3c2CCCC3)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H24F3N3O3S/c1-2-30-20(29)17-13-8-4-6-10-15(13)31-19(17)25-16(28)11-27-14-9-5-3-7-12(14)18(26-27)21(22,23)24/h2-11H2,1H3,(H,25,28)

InChI Key

PXWHYLJFNBTFEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02732417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.504

Distribution Coefficient, logD

2.157

Water Solubility, LogSw

-4.27

Polar Surface Area

58.237

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

6466-0052 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 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 6466-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0052?
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What is the minimum amount of 6466-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0052
  • 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 6466-0052 available by request