C226-4128 Screening compound: 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethan-1-one

C226-4128 Screening compound: 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethan-1-one
C226-4128 Screening compound: 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C226-4128
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethan-1-one

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

C226-4128

Molecular Formula

C12H18N4O3S (C12 H18 N4 O3 S)

Compound Name

2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-1-(2-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CCCC1)N1C(CSc([nH]nc1C)c1[N+]([O-])=O)=O

InChI

InChI=1S/C12H18N4O3S/c1-8-5-3-4-6-15(8)10(17)7-20-12-11(16(18)19)9(2)13-14-12/h8H,3-7H2,1-2H3,(H,13,14)/t8-/m0/s1

InChI Key

BTPBJKVBNBWNLA-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD09783271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.794

Distribution Coefficient, logD

1.784

Water Solubility, LogSw

-2.34

Polar Surface Area

71.894

Acid Dissociation Constant (pKa)

6.05

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with C226-4128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C226-4128?
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What is the minimum amount of C226-4128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C226-4128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C226-4128
  • 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 C226-4128 available by request