3871-0335 Screening compound: propan-2-yl 4-[(4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

3871-0335 Screening compound: propan-2-yl 4-[(4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
3871-0335 Screening compound: propan-2-yl 4-[(4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0335
propan-2-yl 4-[(4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]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

3871-0335

Molecular Formula

C25H26N2O5 (C25 H26 N2 O5)

Compound Name

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

IUPAC name

propan-2-yl 4-[(4Z)-4-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]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/c(cc1)cc(OC)c1OCC=C)=O

InChI

InChI=1S/C25H26N2O5/c1-6-13-31-22-12-7-18(15-23(22)30-5)14-21-17(4)26-27(24(21)28)20-10-8-19(9-11-20)25(29)32-16(2)3/h6-12,14-16H,1,13H2,2-5H3

InChI Key

GAZSKXUYXKWOAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.666

Distribution Coefficient, logD

4.666

Water Solubility, LogSw

-4.56

Polar Surface Area

61.154

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

-7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 3871-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0335?
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What is the minimum amount of 3871-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0335
  • 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 3871-0335 available by request