C226-4429 Screening compound: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

C226-4429 Screening compound: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
C226-4429 Screening compound: 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4429
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

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

C226-4429

Molecular Formula

C16H11F4N5O2 (C16 H11 F4 N5 O2)

Compound Name

2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

IUPAC name

2-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine

SMILES

Cc(n(-c1nc(C(F)(F)F)cc(-c(cc2)ccc2F)n1)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C16H11F4N5O2/c1-8-14(25(26)27)9(2)24(23-8)15-21-12(7-13(22-15)16(18,19)20)10-3-5-11(17)6-4-10/h3-7H,1-2H3

InChI Key

DSRPXXZMCGDNIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.52

Polar Surface Area

64.663

Acid Dissociation Constant (pKa)

27.64

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with C226-4429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4429?
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What is the minimum amount of C226-4429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4429
  • 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 C226-4429 available by request