2189-2007 Screening compound: 4-{[(2Z)-4-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

2189-2007 Screening compound: 4-{[(2Z)-4-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
2189-2007 Screening compound: 4-{[(2Z)-4-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-2007
4-{[(2Z)-4-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-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

2189-2007

Molecular Formula

C26H21BrN4OS (C26 H21 BrN4 OS)

Compound Name

4-{[(2Z)-4-(4-bromophenyl)-3-phenyl-2,3-dihydro-1,3-thiazol-2-ylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-{[(2Z)-4-(4-bromophenyl)-3-phenyl-23-dihydro-13-thiazol-2-ylidene]amino}-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1/N=C1\SC=C(c(cc2)ccc2Br)N1c1ccccc1

InChI

InChI=1S/C26H21BrN4OS/c1-18-24(25(32)31(29(18)2)22-11-7-4-8-12-22)28-26-30(21-9-5-3-6-10-21)23(17-33-26)19-13-15-20(27)16-14-19/h3-17H,1-2H3

InChI Key

OPNRTQRKJZXZET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00853988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.381

Distribution Coefficient, logD

5.381

Water Solubility, LogSw

-5.51

Polar Surface Area

31.073

Acid Dissociation Constant (pKa)

29.44

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 2189-2007 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2189-2007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-2007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-2007
  • 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 2189-2007 available by request