Y070-3219 Screening compound: N,N-dimethyl-3-(4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide

Y070-3219 Screening compound: N,N-dimethyl-3-(4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide
Y070-3219 Screening compound: N,N-dimethyl-3-(4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3219
N,N-dimethyl-3-(4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide

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

Y070-3219

Molecular Formula

C22H20N4O3S3 (C22 H20 N4 O3 S3)

Compound Name

N,N-dimethyl-3-(4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide

IUPAC name

NN-dimethyl-3-(4-{[(5Z)-3-methyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}-1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide

SMILES

CN(C)S(c1cc(-c(c(/C=C(/C(N2C)=O)\SC2=S)c2)nn2-c2ccccc2)ccc1)(=O)=O

InChI

InChI=1S/C22H20N4O3S3/c1-24(2)32(28,29)18-11-7-8-15(12-18)20-16(13-19-21(27)25(3)22(30)31-19)14-26(23-20)17-9-5-4-6-10-17/h4-14H,1-3H3

InChI Key

NMKMWAVMKKBDTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04161364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.575

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-3.81

Polar Surface Area

64.776

Acid Dissociation Constant (pKa)

31.06

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with Y070-3219 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3219
  • 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 Y070-3219 available by request