3852-0268 Screening compound: 1-(3-methoxybenzoyl)-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

3852-0268 Screening compound: 1-(3-methoxybenzoyl)-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
3852-0268 Screening compound: 1-(3-methoxybenzoyl)-3-(3-nitrophenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0268
1-(3-methoxybenzoyl)-3-(3-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

3852-0268

Molecular Formula

C18H14F3N3O5 (C18 H14 F3 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(N(C(C2)(C(F)(F)F)O)N=C2c2cc([N+]([O-])=O)ccc2)=O)c1

InChI

InChI=1S/C18H14F3N3O5/c1-29-14-7-3-5-12(9-14)16(25)23-17(26,18(19,20)21)10-15(22-23)11-4-2-6-13(8-11)24(27)28/h2-9,26H,10H2,1H3/t17-/m0/s1

InChI Key

REXPBIWIPXGUQJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02215143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-3.57

Polar Surface Area

84.443

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 3852-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0268?
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What is the minimum amount of 3852-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0268
  • 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 3852-0268 available by request