4490-1963 Screening compound: butyl 4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

4490-1963 Screening compound: butyl 4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate
4490-1963 Screening compound: butyl 4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4490-1963
butyl 4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

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

4490-1963

Molecular Formula

C26H24N2O4 (C26 H24 N2 O4)

Compound Name

butyl 4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

butyl 4-(5-{[(4E)-3-methyl-5-oxo-1-phenyl-45-dihydro-1H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCCCOC(c(cc1)ccc1-c1ccc(/C=C(\C(C)=NN2c3ccccc3)/C2=O)o1)=O

InChI

InChI=1S/C26H24N2O4/c1-3-4-16-31-26(30)20-12-10-19(11-13-20)24-15-14-22(32-24)17-23-18(2)27-28(25(23)29)21-8-6-5-7-9-21/h5-15,17H,3-4,16H2,1-2H3

InChI Key

AFTNTXWVUHNCCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02950782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.241

Distribution Coefficient, logD

6.241

Water Solubility, LogSw

-5.55

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

19.20

References: we are preparing a list of scientific research reports with 4490-1963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4490-1963?
Check Price and Availability of 4490-1963, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4490-1963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4490-1963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4490-1963
  • 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 4490-1963 available by request