8010-3289 Screening compound: N~3~-(2-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

8010-3289 Screening compound: N~3~-(2-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
8010-3289 Screening compound: N~3~-(2-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3289
N~3~-(2-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

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

8010-3289

Molecular Formula

C19H19F3N2O2S (C19 H19 F3 N2 O2 S)

Compound Name

N~3~-(2-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

N-(2-methylphenyl)-2-(222-trifluoroacetamido)-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

Cc(cccc1)c1NC(c1c(NC(C(F)(F)F)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C19H19F3N2O2S/c1-11-7-5-6-9-13(11)23-16(25)15-12-8-3-2-4-10-14(12)27-17(15)24-18(26)19(20,21)22/h5-7,9H,2-4,8,10H2,1H3,(H,23,25)(H,24,26)

InChI Key

XTBABNAIGQXLJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

1.265

Water Solubility, LogSw

-4.63

Polar Surface Area

46.041

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

8010-3289 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Ion Channels Annotated Library (353 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-3289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3289?
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What is the minimum amount of 8010-3289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3289
  • 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 8010-3289 available by request