3759-1453 Screening compound: N-[3-(azepane-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-2-fluorobenzamide

3759-1453 Screening compound: N-[3-(azepane-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-2-fluorobenzamide
3759-1453 Screening compound: N-[3-(azepane-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3759-1453
N-[3-(azepane-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-2-fluorobenzamide

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

3759-1453

Molecular Formula

C23H27FN2O2S (C23 H27 FN2 O2 S)

Compound Name

N-[3-(azepane-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-2-fluorobenzamide

IUPAC name

N-[3-(azepane-1-carbonyl)-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl]-2-fluorobenzamide

SMILES

O=C(c1c(NC(c(cccc2)c2F)=O)sc2c1CCCCC2)N1CCCCCC1

InChI

InChI=1S/C23H27FN2O2S/c24-18-12-7-6-10-16(18)21(27)25-22-20(17-11-4-3-5-13-19(17)29-22)23(28)26-14-8-1-2-9-15-26/h6-7,10,12H,1-5,8-9,11,13-15H2,(H,25,27)

InChI Key

OPIXUULBSGBVBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02209640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.54

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

5.166

Distribution Coefficient, logD

1.586

Water Solubility, LogSw

-5.17

Polar Surface Area

40.355

Acid Dissociation Constant (pKa)

3.82

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

3759-1453 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3759-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3759-1453?
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What is the minimum amount of 3759-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3759-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3759-1453
  • 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 3759-1453 available by request