8017-4586 Screening compound: 2-{(E)-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-ethenyl}-6-hydroxy-5-nitro-4(3H)-pyrimidinone

8017-4586 Screening compound: 2-{(E)-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-ethenyl}-6-hydroxy-5-nitro-4(3H)-pyrimidinone
8017-4586 Screening compound: 2-{(E)-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-ethenyl}-6-hydroxy-5-nitro-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4586
2-{(E)-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-ethenyl}-6-hydroxy-5-nitro-4(3H)-pyrimidinone

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

8017-4586

Molecular Formula

C15H10FN5O4 (C15 H10 FN5 O4)

Compound Name

2-{(E)-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1-ethenyl}-6-hydroxy-5-nitro-4(3H)-pyrimidinone

IUPAC name

2-[(1E)-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]-6-hydroxy-5-nitro-34-dihydropyrimidin-4-one

SMILES

[O-][N+](C(C(NC(/C=C/c1c[nH]nc1-c(cc1)ccc1F)=N1)=O)=C1O)=O

InChI

InChI=1S/C15H10FN5O4/c16-10-4-1-8(2-5-10)12-9(7-17-20-12)3-6-11-18-14(22)13(21(24)25)15(23)19-11/h1-7H,(H,17,20)(H2,18,19,22,23)

InChI Key

PKOGYYHXMNPAIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.587

Distribution Coefficient, logD

-6.921

Water Solubility, LogSw

-2.13

Polar Surface Area

108.561

Acid Dissociation Constant (pKa)

0.45

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8017-4586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4586?
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What is the minimum amount of 8017-4586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4586
  • 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 8017-4586 available by request