2083-1660 Screening compound: 5-(5-{[(4Z)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

2083-1660 Screening compound: 5-(5-{[(4Z)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
2083-1660 Screening compound: 5-(5-{[(4Z)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2083-1660
5-(5-{[(4Z)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

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

2083-1660

Molecular Formula

C22H14BrClN2O4 (C22 H14 BrClN2 O4)

Compound Name

5-(5-{[(4Z)-1-(4-bromophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

IUPAC name

5-(5-{[(4Z)-1-(4-bromophenyl)-3-methyl-5-oxo-45-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid

SMILES

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

InChI

InChI=1S/C22H14BrClN2O4/c1-12-17(21(27)26(25-12)15-5-3-14(23)4-6-15)11-16-7-9-20(30-16)13-2-8-19(24)18(10-13)22(28)29/h2-11H,1H3,(H,28,29)

InChI Key

LQIYWXASMPQVEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.72

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.824

Distribution Coefficient, logD

1.393

Water Solubility, LogSw

-5.62

Polar Surface Area

61.565

Acid Dissociation Constant (pKa)

2.97

Base Dissociation Constant (pKb)

-6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 2083-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2083-1660?
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What is the minimum amount of 2083-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2083-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2083-1660
  • 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 2083-1660 available by request