1685-0074 Screening compound: 4-[(Z)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-methoxyphenyl acetate

1685-0074 Screening compound: 4-[(Z)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-methoxyphenyl acetate
1685-0074 Screening compound: 4-[(Z)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1685-0074
4-[(Z)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-methoxyphenyl acetate

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

1685-0074

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

4-[(Z)-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-methoxyphenyl acetate

IUPAC name

4-[(Z)-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)imino]methyl]-2-methoxyphenyl acetate

SMILES

CC(Oc(ccc(/C=N\C(C1=O)=C(C)N(C)N1c1ccccc1)c1)c1OC)=O

InChI

InChI=1S/C21H21N3O4/c1-14-20(21(26)24(23(14)3)17-8-6-5-7-9-17)22-13-16-10-11-18(28-15(2)25)19(12-16)27-4/h5-13H,1-4H3

InChI Key

UDVSBTNOUSEOPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.53

Polar Surface Area

57.215

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1685-0074 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1685-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1685-0074?
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What is the minimum amount of 1685-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1685-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1685-0074
  • 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 1685-0074 available by request