4488-1485 Screening compound: 2-(2-fluorobenzamido)-N,N-dimethyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

4488-1485 Screening compound: 2-(2-fluorobenzamido)-N,N-dimethyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide
4488-1485 Screening compound: 2-(2-fluorobenzamido)-N,N-dimethyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4488-1485
2-(2-fluorobenzamido)-N,N-dimethyl-4H,5H,6H,7H,8H-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

4488-1485

Molecular Formula

C19H21FN2O2S (C19 H21 FN2 O2 S)

Compound Name

2-(2-fluorobenzamido)-N,N-dimethyl-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

IUPAC name

2-(2-fluorobenzamido)-NN-dimethyl-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxamide

SMILES

CN(C)C(c1c(NC(c(cccc2)c2F)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C19H21FN2O2S/c1-22(2)19(24)16-13-9-4-3-5-11-15(13)25-18(16)21-17(23)12-8-6-7-10-14(12)20/h6-8,10H,3-5,9,11H2,1-2H3,(H,21,23)

InChI Key

QHWFUJPBIQOWPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02209676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

-0.356

Water Solubility, LogSw

-3.86

Polar Surface Area

39.376

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4488-1485 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4488-1485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4488-1485?
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What is the minimum amount of 4488-1485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4488-1485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4488-1485
  • 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 4488-1485 available by request