6049-0199 Screening compound: 1-(4-bromobenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

6049-0199 Screening compound: 1-(4-bromobenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
6049-0199 Screening compound: 1-(4-bromobenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0199
1-(4-bromobenzoyl)-3,5-bis(difluoromethyl)-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

6049-0199

Molecular Formula

C12H9BrF4N2O2 (C12 H9 BrF4 N2 O2)

Compound Name

1-(4-bromobenzoyl)-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(4-bromobenzoyl)-35-bis(difluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(C(F)F)N(C(c(cc2)ccc2Br)=O)N=C1C(F)F

InChI

InChI=1S/C12H9BrF4N2O2/c13-7-3-1-6(2-4-7)10(20)19-12(21,11(16)17)5-8(18-19)9(14)15/h1-4,9,11,21H,5H2/t12-/m0/s1

InChI Key

HCOIFXIFHZTNHV-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03465792

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

369.11

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

2.400

Distribution Coefficient, logD

2.400

Water Solubility, LogSw

-2.46

Polar Surface Area

43.790

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

6049-0199 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6049-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0199?
Check Price and Availability of 6049-0199, 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 6049-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0199
  • 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 6049-0199 available by request