8007-9595 Screening compound: [5-hydroxy-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone

8007-9595 Screening compound: [5-hydroxy-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone
8007-9595 Screening compound: [5-hydroxy-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-9595
[5-hydroxy-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone

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

8007-9595

Molecular Formula

C17H10F13N3O4 (C17 H10 F13 N3 O4)

Compound Name

[5-hydroxy-3-methyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-4,5-dihydro-1H-pyrazol-1-yl](3-nitrophenyl)methanone

IUPAC name

3-methyl-1-(3-nitrobenzoyl)-5-(1122334455666-tridecafluorohexyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)=NN1C(c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C17H10F13N3O4/c1-7-6-11(35,32(31-7)10(34)8-3-2-4-9(5-8)33(36)37)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h2-5,35H,6H2,1H3/t11-/m0/s1

InChI Key

RZKRSOPDLBLIGV-NSHDSACASA-N

MDL Number (MFCD)

MFCD02646233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.974

Distribution Coefficient, logD

4.974

Water Solubility, LogSw

-4.62

Polar Surface Area

76.344

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

References: we are preparing a list of scientific research reports with 8007-9595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-9595?
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What is the minimum amount of 8007-9595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-9595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-9595
  • 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 8007-9595 available by request