C226-4547 Screening compound: 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxamide

C226-4547 Screening compound: 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxamide
C226-4547 Screening compound: 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4547
1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxamide

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

C226-4547

Molecular Formula

C16H11F3N6O4 (C16 H11 F3 N6 O4)

Compound Name

1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxamide

IUPAC name

1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-4-nitro-1H-pyrazole-3-carboxamide

SMILES

COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(C(N)=O)c([N+]([O-])=O)c3)n2)c1

InChI

InChI=1S/C16H11F3N6O4/c1-29-9-4-2-3-8(5-9)10-6-12(16(17,18)19)22-15(21-10)24-7-11(25(27)28)13(23-24)14(20)26/h2-7H,1H3,(H2,20,26)

InChI Key

MMLODNHBWSDJFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.931

Distribution Coefficient, logD

2.931

Water Solubility, LogSw

-3.55

Polar Surface Area

107.052

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with C226-4547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4547?
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What is the minimum amount of C226-4547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4547
  • 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 C226-4547 available by request