8010-3288 Screening compound: N~3~-phenyl-2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

8010-3288 Screening compound: N~3~-phenyl-2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
8010-3288 Screening compound: N~3~-phenyl-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 8010-3288
N~3~-phenyl-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

8010-3288

Molecular Formula

C18H17F3N2O2S (C18 H17 F3 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(F)(F)F)Nc1c(C(Nc2ccccc2)=O)c(CCCCC2)c2s1

InChI

InChI=1S/C18H17F3N2O2S/c19-18(20,21)17(25)23-16-14(12-9-5-2-6-10-13(12)26-16)15(24)22-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,22,24)(H,23,25)

InChI Key

PRBJMPPJVJEDLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01176938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.41

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

4.608

Distribution Coefficient, logD

1.080

Water Solubility, LogSw

-4.62

Polar Surface Area

46.738

Acid Dissociation Constant (pKa)

3.87

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8010-3288 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-3288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3288?
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What is the minimum amount of 8010-3288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3288
  • 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 8010-3288 available by request