C226-4305 Screening compound: 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide

C226-4305 Screening compound: 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide
C226-4305 Screening compound: 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4305
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)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

C226-4305

Molecular Formula

C17H21BrN4O6 (C17 H21 BrN4 O6)

Compound Name

4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)butanamide

IUPAC name

4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(345-trimethoxyphenyl)butanamide

SMILES

Cc(n(CCCC(Nc(cc1OC)cc(OC)c1OC)=O)nc1[N+]([O-])=O)c1Br

InChI

InChI=1S/C17H21BrN4O6/c1-10-15(18)17(22(24)25)20-21(10)7-5-6-14(23)19-11-8-12(26-2)16(28-4)13(9-11)27-3/h8-9H,5-7H2,1-4H3,(H,19,23)

InChI Key

QZPXPMIDYBBHHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.28

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.319

Distribution Coefficient, logD

1.317

Water Solubility, LogSw

-2.33

Polar Surface Area

93.363

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with C226-4305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4305?
Check Price and Availability of C226-4305, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C226-4305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4305
  • 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 C226-4305 available by request