2083-1671 Screening compound: prop-2-en-1-yl 5-(5-{[(4E)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate

2083-1671 Screening compound: prop-2-en-1-yl 5-(5-{[(4E)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
2083-1671 Screening compound: prop-2-en-1-yl 5-(5-{[(4E)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-1671
prop-2-en-1-yl 5-(5-{[(4E)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate

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

2083-1671

Molecular Formula

C25H18BrClN2O4 (C25 H18 BrClN2 O4)

Compound Name

prop-2-en-1-yl 5-(5-{[(4E)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate

IUPAC name

prop-2-en-1-yl 5-(5-{[(4E)-1-(4-bromophenyl)-3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate

SMILES

CC(/C(/C1=O)=C\c2ccc(-c(cc3)cc(C(OCC=C)=O)c3Cl)o2)=NN1c(cc1)ccc1Br

InChI

InChI=1S/C25H18BrClN2O4/c1-3-12-32-25(31)21-13-16(4-10-22(21)27)23-11-9-19(33-23)14-20-15(2)28-29(24(20)30)18-7-5-17(26)6-8-18/h3-11,13-14H,1,12H2,2H3

InChI Key

ZPWOMKSJEKZMHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.716

Distribution Coefficient, logD

6.716

Water Solubility, LogSw

-6.40

Polar Surface Area

54.204

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

References: we are preparing a list of scientific research reports with 2083-1671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-1671?
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What is the minimum amount of 2083-1671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-1671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-1671
  • 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 2083-1671 available by request