1611-2565 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

1611-2565 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
1611-2565 Screening compound: N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-2565
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

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

1611-2565

Molecular Formula

C25H23N5O4S3 (C25 H23 N5 O4 S3)

Compound Name

N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

IUPAC name

N-{4-[(46-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-3-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-13-thiazolidin-3-yl]propanamide

SMILES

Cc1nc(NS(c(cc2)ccc2NC(CCN(C(/C(/S2)=C/c3ccccc3)=O)C2=S)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C25H23N5O4S3/c1-16-14-17(2)27-24(26-16)29-37(33,34)20-10-8-19(9-11-20)28-22(31)12-13-30-23(32)21(36-25(30)35)15-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3,(H,28,31)(H,26,27,29)

InChI Key

IXTMVKZKJWMMSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00584845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.82

Polar Surface Area

99.538

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

1611-2565 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1611-2565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-2565?
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What is the minimum amount of 1611-2565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-2565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-2565
  • 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 1611-2565 available by request