5785-0907 Screening compound: 4-{[(2-methoxyphenoxy)(methyl)phosphoryl]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

5785-0907 Screening compound: 4-{[(2-methoxyphenoxy)(methyl)phosphoryl]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
5785-0907 Screening compound: 4-{[(2-methoxyphenoxy)(methyl)phosphoryl]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5785-0907
4-{[(2-methoxyphenoxy)(methyl)phosphoryl]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

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

5785-0907

Molecular Formula

C19H22N3O4P (C19 H22 N3 O4 P)

Compound Name

4-{[(2-methoxyphenoxy)(methyl)phosphoryl]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-{[(2-methoxyphenoxy)(methyl)phosphoryl]amino}-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NP(C)(Oc(cccc1)c1OC)=O

InChI

InChI=1S/C19H22N3O4P/c1-14-18(19(23)22(21(14)2)15-10-6-5-7-11-15)20-27(4,24)26-17-13-9-8-12-16(17)25-3/h5-13H,1-4H3,(H,20,24)/t27-/m1/s1

InChI Key

YCWXMFMYEWLQAY-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD02986316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.739

Distribution Coefficient, logD

0.709

Water Solubility, LogSw

-1.14

Polar Surface Area

63.370

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

5785-0907 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5785-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5785-0907?
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What is the minimum amount of 5785-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5785-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5785-0907
  • 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 5785-0907 available by request