3852-0267 Screening compound: 1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one

3852-0267 Screening compound: 1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
3852-0267 Screening compound: 1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0267
1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one

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

3852-0267

Molecular Formula

C18H13F3N4O6 (C18 H13 F3 N4 O6)

Compound Name

1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one

IUPAC name

1-[5-hydroxy-3-(3-nitrophenyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one

SMILES

[O-][N+](c1ccc(CC(N(C(C2)(C(F)(F)F)O)N=C2c2cc([N+]([O-])=O)ccc2)=O)cc1)=O

InChI

InChI=1S/C18H13F3N4O6/c19-18(20,21)17(27)10-15(12-2-1-3-14(9-12)25(30)31)22-23(17)16(26)8-11-4-6-13(7-5-11)24(28)29/h1-7,9,27H,8,10H2/t17-/m0/s1

InChI Key

QWLPRVUXHJQUNG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14708761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.32

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.310

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.47

Polar Surface Area

109.754

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3852-0267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0267?
Check Price and Availability of 3852-0267, 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 3852-0267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0267
  • 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 3852-0267 available by request