D140-0089 Screening compound: 3-(2-hydroxy-5-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

D140-0089 Screening compound: 3-(2-hydroxy-5-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
D140-0089 Screening compound: 3-(2-hydroxy-5-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D140-0089
3-(2-hydroxy-5-nitrophenyl)-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

D140-0089

Molecular Formula

C10H8F3N3O4 (C10 H8 F3 N3 O4)

Compound Name

3-(2-hydroxy-5-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-(2-hydroxy-5-nitrophenyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

[O-][N+](c(cc1)cc(C(C2)=NNC2(C(F)(F)F)O)c1O)=O

InChI

InChI=1S/C10H8F3N3O4/c11-10(12,13)9(18)4-7(14-15-9)6-3-5(16(19)20)1-2-8(6)17/h1-3,15,17-18H,4H2/t9-/m0/s1

InChI Key

DANMCXZURXWMHB-VIFPVBQESA-N

MDL Number (MFCD)

MFCD14812361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.480

Distribution Coefficient, logD

1.647

Water Solubility, LogSw

-2.68

Polar Surface Area

90.998

Acid Dissociation Constant (pKa)

6.64

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

D140-0089 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D140-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D140-0089?
Check Price and Availability of D140-0089, 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 D140-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D140-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D140-0089
  • 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 D140-0089 available by request