3972-0068 Screening compound: propan-2-yl 4-[(4Z)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

3972-0068 Screening compound: propan-2-yl 4-[(4Z)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
3972-0068 Screening compound: propan-2-yl 4-[(4Z)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3972-0068
propan-2-yl 4-[(4Z)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-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

3972-0068

Molecular Formula

C26H23N3O7 (C26 H23 N3 O7)

Compound Name

propan-2-yl 4-[(4Z)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

IUPAC name

propan-2-yl 4-[(4Z)-4-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzoate

SMILES

CC(C)OC(c(cc1)ccc1N(C1=O)N=C(C)/C1=C/c1ccc(-c(ccc([N+]([O-])=O)c2)c2OC)o1)=O

InChI

InChI=1S/C26H23N3O7/c1-15(2)35-26(31)17-5-7-18(8-6-17)28-25(30)22(16(3)27-28)14-20-10-12-23(36-20)21-11-9-19(29(32)33)13-24(21)34-4/h5-15H,1-4H3

InChI Key

XLKQIPMAOLSGEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.434

Distribution Coefficient, logD

5.434

Water Solubility, LogSw

-5.46

Polar Surface Area

94.601

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 3972-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3972-0068?
Check Price and Availability of 3972-0068, 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 3972-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3972-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3972-0068
  • 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 3972-0068 available by request