0726-0036 Screening compound: (4Z)-4-{[4-(dimethylamino)phenyl]methylidene}-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one

0726-0036 Screening compound: (4Z)-4-{[4-(dimethylamino)phenyl]methylidene}-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one
0726-0036 Screening compound: (4Z)-4-{[4-(dimethylamino)phenyl]methylidene}-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0726-0036
(4Z)-4-{[4-(dimethylamino)phenyl]methylidene}-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-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

0726-0036

Molecular Formula

C22H23N5O4 (C22 H23 N5 O4)

Compound Name

(4Z)-4-{[4-(dimethylamino)phenyl]methylidene}-3-(morpholin-4-yl)-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-4-{[4-(dimethylamino)phenyl]methylidene}-3-(morpholin-4-yl)-1-(4-nitrophenyl)-45-dihydro-1H-pyrazol-5-one

SMILES

CN(C)c1ccc(/C=C(\C2=O)/C(N3CCOCC3)=NN2c(cc2)ccc2[N+]([O-])=O)cc1

InChI

InChI=1S/C22H23N5O4/c1-24(2)17-5-3-16(4-6-17)15-20-21(25-11-13-31-14-12-25)23-26(22(20)28)18-7-9-19(10-8-18)27(29)30/h3-10,15H,11-14H2,1-2H3

InChI Key

RUDKMYZVMSRQMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00569362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-3.38

Polar Surface Area

73.279

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

0726-0036 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0726-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0726-0036?
Check Price and Availability of 0726-0036, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0726-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0726-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0726-0036
  • 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 0726-0036 available by request