3209-0242 Screening compound: 1-azepanyl[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

3209-0242 Screening compound: 1-azepanyl[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone
3209-0242 Screening compound: 1-azepanyl[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3209-0242
1-azepanyl[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

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

3209-0242

Molecular Formula

C22H21F3N4O (C22 H21 F3 N4 O)

Compound Name

1-azepanyl[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone

IUPAC name

14-(azepane-1-carbonyl)-11-(trifluoromethyl)-121317-triazatetracyclo[8.7.0.0^{27}.0^{1216}]heptadeca-1(17)246101315-heptaene

SMILES

O=C(c1nn2c(C(F)(F)F)c(CCc3c-4cccc3)c4nc2c1)N1CCCCCC1

InChI

InChI=1S/C22H21F3N4O/c23-22(24,25)20-16-10-9-14-7-3-4-8-15(14)19(16)26-18-13-17(27-29(18)20)21(30)28-11-5-1-2-6-12-28/h3-4,7-8,13H,1-2,5-6,9-12H2

InChI Key

FMWKZRILQGMQKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01528622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.835

Distribution Coefficient, logD

4.752

Water Solubility, LogSw

-4.71

Polar Surface Area

40.159

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 3209-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3209-0242?
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What is the minimum amount of 3209-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3209-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3209-0242
  • 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 3209-0242 available by request