6049-0335 Screening compound: 3-cyclopropyl-1-(2,4-dichlorobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

6049-0335 Screening compound: 3-cyclopropyl-1-(2,4-dichlorobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
6049-0335 Screening compound: 3-cyclopropyl-1-(2,4-dichlorobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0335
3-cyclopropyl-1-(2,4-dichlorobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-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

6049-0335

Molecular Formula

C14H11Cl2F3N2O2 (C14 H11 Cl2 F3 N2 O2)

Compound Name

3-cyclopropyl-1-(2,4-dichlorobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-cyclopropyl-1-(24-dichlorobenzoyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(C(F)(F)F)N(C(c(ccc(Cl)c2)c2Cl)=O)N=C1C1CC1

InChI

InChI=1S/C14H11Cl2F3N2O2/c15-8-3-4-9(10(16)5-8)12(22)21-13(23,14(17,18)19)6-11(20-21)7-1-2-7/h3-5,7,23H,1-2,6H2/t13-/m0/s1

InChI Key

MACLTWLIONMZEI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03466457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-4.11

Polar Surface Area

44.041

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 6049-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0335?
Check Price and Availability of 6049-0335, 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 6049-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0335
  • 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 6049-0335 available by request