8009-5164 Screening compound: 1-(3-bromobenzoyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

8009-5164 Screening compound: 1-(3-bromobenzoyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
8009-5164 Screening compound: 1-(3-bromobenzoyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5164
1-(3-bromobenzoyl)-5-(4-fluorophenyl)-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

8009-5164

Molecular Formula

C17H11BrF4N2O2 (C17 H11 BrF4 N2 O2)

Compound Name

1-(3-bromobenzoyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(3-bromobenzoyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(c(cc2)ccc2F)N(C(c2cccc(Br)c2)=O)N=C1C(F)(F)F

InChI

InChI=1S/C17H11BrF4N2O2/c18-12-3-1-2-10(8-12)15(25)24-16(26,9-14(23-24)17(20,21)22)11-4-6-13(19)7-5-11/h1-8,26H,9H2/t16-/m0/s1

InChI Key

GKBCSMSSPUOZBY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01821721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.18

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

4.244

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.47

Polar Surface Area

43.518

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8009-5164 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8009-5164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5164?
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What is the minimum amount of 8009-5164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5164
  • 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 8009-5164 available by request