4607-0226 Screening compound: 2-(4-bromobenzoyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol

4607-0226 Screening compound: 2-(4-bromobenzoyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol
4607-0226 Screening compound: 2-(4-bromobenzoyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-0226
2-(4-bromobenzoyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol

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

4607-0226

Molecular Formula

C16H16BrF3N2O2 (C16 H16 BrF3 N2 O2)

Compound Name

2-(4-bromobenzoyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol

IUPAC name

2-(4-bromobenzoyl)-3-(trifluoromethyl)-2H3H3aH4H5H6H7H8H-cyclohepta[c]pyrazol-3-ol

SMILES

OC1(C(F)(F)F)N(C(c(cc2)ccc2Br)=O)N=C2C1CCCCC2

InChI

InChI=1S/C16H16BrF3N2O2/c17-11-8-6-10(7-9-11)14(23)22-15(24,16(18,19)20)12-4-2-1-3-5-13(12)21-22/h6-9,12,24H,1-5H2

InChI Key

YCQQYSNWXPLUGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.517

Water Solubility, LogSw

-4.32

Polar Surface Area

43.252

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 4607-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-0226?
Check Price and Availability of 4607-0226, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4607-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-0226
  • 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 4607-0226 available by request