5859-0101 Screening compound: N-(4-bromophenyl)-2-[5-hydroxy-3-pentyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoacetamide

5859-0101 Screening compound: N-(4-bromophenyl)-2-[5-hydroxy-3-pentyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoacetamide
5859-0101 Screening compound: N-(4-bromophenyl)-2-[5-hydroxy-3-pentyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5859-0101
N-(4-bromophenyl)-2-[5-hydroxy-3-pentyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoacetamide

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

5859-0101

Molecular Formula

C17H19BrF3N3O3 (C17 H19 BrF3 N3 O3)

Compound Name

N-(4-bromophenyl)-2-[5-hydroxy-3-pentyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoacetamide

IUPAC name

N-(4-bromophenyl)-2-[5-hydroxy-3-pentyl-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoacetamide

SMILES

CCCCCC(CC1(C(F)(F)F)O)=NN1C(C(Nc(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C17H19BrF3N3O3/c1-2-3-4-5-13-10-16(27,17(19,20)21)24(23-13)15(26)14(25)22-12-8-6-11(18)7-9-12/h6-9,27H,2-5,10H2,1H3,(H,22,25)/t16-/m0/s1

InChI Key

YCZYPXPUGDWMMR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14710866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.286

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-4.16

Polar Surface Area

67.056

Acid Dissociation Constant (pKa)

5.95

Base Dissociation Constant (pKb)

-8.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with 5859-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5859-0101?
Check Price and Availability of 5859-0101, 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 5859-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5859-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5859-0101
  • 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 5859-0101 available by request