4823-2529 Screening compound: ethyl 2-[(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

4823-2529 Screening compound: ethyl 2-[(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
4823-2529 Screening compound: ethyl 2-[(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4823-2529
ethyl 2-[(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

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

4823-2529

Molecular Formula

C19H18BrN3O4S (C19 H18 BrN3 O4 S)

Compound Name

ethyl 2-[(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[(4E)-4-[(3-bromo-4-methoxyphenyl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(N(C2=O)N=C(C)/C2=C\c(cc2)cc(Br)c2OC)s1)=O

InChI

InChI=1S/C19H18BrN3O4S/c1-5-27-18(25)16-11(3)21-19(28-16)23-17(24)13(10(2)22-23)8-12-6-7-15(26-4)14(20)9-12/h6-9H,5H2,1-4H3

InChI Key

RXFIXCFHOUBBAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.40

Polar Surface Area

64.368

Acid Dissociation Constant (pKa)

26.50

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with 4823-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4823-2529?
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What is the minimum amount of 4823-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4823-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4823-2529
  • 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 4823-2529 available by request