4607-1492 Screening compound: 1-[4-(dimethylamino)benzoyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-1492 Screening compound: 1-[4-(dimethylamino)benzoyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-1492 Screening compound: 1-[4-(dimethylamino)benzoyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1492
1-[4-(dimethylamino)benzoyl]-3-(4-methylphenyl)-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

4607-1492

Molecular Formula

C20H20F3N3O2 (C20 H20 F3 N3 O2)

Compound Name

1-[4-(dimethylamino)benzoyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-[4-(dimethylamino)benzoyl]-3-(4-methylphenyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

Cc(cc1)ccc1C(CC1(C(F)(F)F)O)=NN1C(c(cc1)ccc1N(C)C)=O

InChI

InChI=1S/C20H20F3N3O2/c1-13-4-6-14(7-5-13)17-12-19(28,20(21,22)23)26(24-17)18(27)15-8-10-16(11-9-15)25(2)3/h4-11,28H,12H2,1-3H3/t19-/m0/s1

InChI Key

GWVWSTUVKHSLOR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02734368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.964

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.16

Polar Surface Area

46.323

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

4607-1492 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 4607-1492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1492?
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What is the minimum amount of 4607-1492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1492
  • 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 4607-1492 available by request