1611-2804 Screening compound: (2Z)-3-[(Z)-[(4-bromophenyl)methylidene]amino]-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-thiazolidin-4-one

1611-2804 Screening compound: (2Z)-3-[(Z)-[(4-bromophenyl)methylidene]amino]-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-thiazolidin-4-one
1611-2804 Screening compound: (2Z)-3-[(Z)-[(4-bromophenyl)methylidene]amino]-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-2804
(2Z)-3-[(Z)-[(4-bromophenyl)methylidene]amino]-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-thiazolidin-4-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

1611-2804

Molecular Formula

C21H18BrN5O2S (C21 H18 BrN5 O2 S)

Compound Name

(2Z)-3-[(Z)-[(4-bromophenyl)methylidene]amino]-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-thiazolidin-4-one

IUPAC name

(2Z)-3-[(Z)-[(4-bromophenyl)methylidene]amino]-2-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)imino]-13-thiazolidin-4-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1/N=C(/N1/N=C\c(cc2)ccc2Br)\SCC1=O

InChI

InChI=1S/C21H18BrN5O2S/c1-14-19(20(29)27(25(14)2)17-6-4-3-5-7-17)24-21-26(18(28)13-30-21)23-12-15-8-10-16(22)11-9-15/h3-12H,13H2,1-2H3

InChI Key

HLWQDYQJBNBPCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01162062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-2.89

Polar Surface Area

56.210

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1611-2804 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1611-2804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-2804?
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What is the minimum amount of 1611-2804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-2804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-2804
  • 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 1611-2804 available by request