M461-6198 Screening compound: ethyl 2-[(3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)formamido]acetate

M461-6198 Screening compound: ethyl 2-[(3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)formamido]acetate
M461-6198 Screening compound: ethyl 2-[(3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)formamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound M461-6198
ethyl 2-[(3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)formamido]acetate

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

M461-6198

Molecular Formula

C19H24ClN5O5S (C19 H24 ClN5 O5 S)

Compound Name

ethyl 2-[(3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)formamido]acetate

IUPAC name

ethyl 2-[(3-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)formamido]acetate

SMILES

CCOC(CNC(c1cn(C)nc1S(N(CC1)CCN1c1cccc(Cl)c1)(=O)=O)=O)=O

InChI

InChI=1S/C19H24ClN5O5S/c1-3-30-17(26)12-21-18(27)16-13-23(2)22-19(16)31(28,29)25-9-7-24(8-10-25)15-6-4-5-14(20)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,21,27)

InChI Key

KGGGFDDCYMDHIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.95

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.731

Distribution Coefficient, logD

1.731

Water Solubility, LogSw

-3.13

Polar Surface Area

95.184

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with M461-6198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M461-6198?
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What is the minimum amount of M461-6198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M461-6198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M461-6198
  • 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 M461-6198 available by request