3871-0351 Screening compound: propan-2-yl 4-[(4Z)-3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

3871-0351 Screening compound: propan-2-yl 4-[(4Z)-3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
3871-0351 Screening compound: propan-2-yl 4-[(4Z)-3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0351
propan-2-yl 4-[(4Z)-3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-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

3871-0351

Molecular Formula

C20H20N2O3S (C20 H20 N2 O3 S)

Compound Name

propan-2-yl 4-[(4Z)-3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

IUPAC name

propan-2-yl 4-[(4Z)-3-methyl-4-[(5-methylthiophen-2-yl)methylidene]-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)s1)=O

InChI

InChI=1S/C20H20N2O3S/c1-12(2)25-20(24)15-6-8-16(9-7-15)22-19(23)18(14(4)21-22)11-17-10-5-13(3)26-17/h5-12H,1-4H3

InChI Key

ZOKFYMAIXSRMIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02951327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.28

Polar Surface Area

47.038

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

-8.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3871-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0351?
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What is the minimum amount of 3871-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0351
  • 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 3871-0351 available by request