3871-0272 Screening compound: methyl 4-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

3871-0272 Screening compound: methyl 4-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate
3871-0272 Screening compound: methyl 4-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3871-0272
methyl 4-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)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

3871-0272

Molecular Formula

C20H18N2O5 (C20 H18 N2 O5)

Compound Name

methyl 4-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoate

IUPAC name

methyl 4-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]benzoate

SMILES

CC(/C(/C1=O)=C/c(cc2)cc(OC)c2O)=NN1c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C20H18N2O5/c1-12-16(10-13-4-9-17(23)18(11-13)26-2)19(24)22(21-12)15-7-5-14(6-8-15)20(25)27-3/h4-11,23H,1-3H3

InChI Key

NFDRFDOLQXWFSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.855

Water Solubility, LogSw

-3.03

Polar Surface Area

70.939

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3871-0272 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3871-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3871-0272?
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What is the minimum amount of 3871-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3871-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3871-0272
  • 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 3871-0272 available by request