C794-1346 Screening compound: ethyl 3-(acetylamino)-1-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

C794-1346 Screening compound: ethyl 3-(acetylamino)-1-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
C794-1346 Screening compound: ethyl 3-(acetylamino)-1-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1346
ethyl 3-(acetylamino)-1-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-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

C794-1346

Molecular Formula

C23H23F3N2O3S (C23 H23 F3 N2 O3 S)

Compound Name

ethyl 3-(acetylamino)-1-[3-(trifluoromethyl)benzyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate

IUPAC name

n/a

SMILES

CCOC(c(n(Cc1cc(C(F)(F)F)ccc1)c1c2c(CCCC3)c3s1)c2NC(C)=O)=O

InChI

InChI=1S/C23H23F3N2O3S/c1-3-31-22(30)20-19(27-13(2)29)18-16-9-4-5-10-17(16)32-21(18)28(20)12-14-7-6-8-15(11-14)23(24,25)26/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,27,29)

InChI Key

YRQOJGCZKWSSCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.014

Water Solubility, LogSw

-4.69

Polar Surface Area

43.862

Acid Dissociation Constant (pKa)

6.97

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C794-1346 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Integrin Receptors Targeted library (1715 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C794-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1346?
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What is the minimum amount of C794-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1346
  • 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 C794-1346 available by request