6049-0280 Screening compound: 3,5-bis(difluoromethyl)-1-[4-(2-methylpropoxy)benzoyl]-4,5-dihydro-1H-pyrazol-5-ol

6049-0280 Screening compound: 3,5-bis(difluoromethyl)-1-[4-(2-methylpropoxy)benzoyl]-4,5-dihydro-1H-pyrazol-5-ol
6049-0280 Screening compound: 3,5-bis(difluoromethyl)-1-[4-(2-methylpropoxy)benzoyl]-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0280
3,5-bis(difluoromethyl)-1-[4-(2-methylpropoxy)benzoyl]-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

6049-0280

Molecular Formula

C16H18F4N2O3 (C16 H18 F4 N2 O3)

Compound Name

3,5-bis(difluoromethyl)-1-[4-(2-methylpropoxy)benzoyl]-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

35-bis(difluoromethyl)-1-[4-(2-methylpropoxy)benzoyl]-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(C)COc(cc1)ccc1C(N(C(C1)(C(F)F)O)N=C1C(F)F)=O

InChI

InChI=1S/C16H18F4N2O3/c1-9(2)8-25-11-5-3-10(4-6-11)14(23)22-16(24,15(19)20)7-12(21-22)13(17)18/h3-6,9,13,15,24H,7-8H2,1-2H3/t16-/m0/s1

InChI Key

LWEJOHOGFKEJOR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03466207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.18

Polar Surface Area

51.289

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

6049-0280 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6049-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0280?
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What is the minimum amount of 6049-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0280
  • 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 6049-0280 available by request