C226-4318 Screening compound: 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide

C226-4318 Screening compound: 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
C226-4318 Screening compound: 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4318
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide

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

C226-4318

Molecular Formula

C20H22BrFN6O3 (C20 H22 BrFN6 O3)

Compound Name

4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide

IUPAC name

4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-35-dimethyl-1H-pyrazol-4-yl}butanamide

SMILES

Cc(n(Cc(cc1)ccc1F)nc1C)c1NC(CCCn(c(C)c1Br)nc1[N+]([O-])=O)=O

InChI

InChI=1S/C20H22BrFN6O3/c1-12-19(14(3)27(24-12)11-15-6-8-16(22)9-7-15)23-17(29)5-4-10-26-13(2)18(21)20(25-26)28(30)31/h6-9H,4-5,10-11H2,1-3H3,(H,23,29)

InChI Key

LKSHEKPCTXHBGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.594

Distribution Coefficient, logD

1.594

Water Solubility, LogSw

-2.43

Polar Surface Area

83.272

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with C226-4318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4318?
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What is the minimum amount of C226-4318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4318
  • 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 C226-4318 available by request