6237-0244 Screening compound: 2-(4-chloro-3-methylbenzoyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol

6237-0244 Screening compound: 2-(4-chloro-3-methylbenzoyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol
6237-0244 Screening compound: 2-(4-chloro-3-methylbenzoyl)-3-(trifluoromethyl)-2H,3H,3aH,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6237-0244
2-(4-chloro-3-methylbenzoyl)-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

6237-0244

Molecular Formula

C17H18ClF3N2O2 (C17 H18 ClF3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)C(N2N=C(CCCCC3)C3C2(C(F)(F)F)O)=O)c1Cl

InChI

InChI=1S/C17H18ClF3N2O2/c1-10-9-11(7-8-13(10)18)15(24)23-16(25,17(19,20)21)12-5-3-2-4-6-14(12)22-23/h7-9,12,25H,2-6H2,1H3

InChI Key

PKIHNEBJDSCOFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.79

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

4.828

Distribution Coefficient, logD

4.828

Water Solubility, LogSw

-4.49

Polar Surface Area

43.252

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 6237-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6237-0244?
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What is the minimum amount of 6237-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6237-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6237-0244
  • 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 6237-0244 available by request