8007-4909 Screening compound: 1-(2-hydroxybenzoyl)-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

8007-4909 Screening compound: 1-(2-hydroxybenzoyl)-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
8007-4909 Screening compound: 1-(2-hydroxybenzoyl)-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4909
1-(2-hydroxybenzoyl)-5-(3-methoxyphenyl)-3-(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

8007-4909

Molecular Formula

C18H15F3N2O4 (C18 H15 F3 N2 O4)

Compound Name

1-(2-hydroxybenzoyl)-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(2-hydroxybenzoyl)-5-(3-methoxyphenyl)-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

COc1cccc(C(C2)(N(C(c(cccc3)c3O)=O)N=C2C(F)(F)F)O)c1

InChI

InChI=1S/C18H15F3N2O4/c1-27-12-6-4-5-11(9-12)17(26)10-15(18(19,20)21)22-23(17)16(25)13-7-2-3-8-14(13)24/h2-9,24,26H,10H2,1H3/t17-/m0/s1

InChI Key

ZURGAGJCMCTDTK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00782074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.632

Water Solubility, LogSw

-3.59

Polar Surface Area

67.610

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8007-4909 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8007-4909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4909?
Check Price and Availability of 8007-4909, 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 8007-4909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4909
  • 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 8007-4909 available by request