3966-4627 Screening compound: (4E)-3-methyl-1-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one

3966-4627 Screening compound: (4E)-3-methyl-1-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one
3966-4627 Screening compound: (4E)-3-methyl-1-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-4627
(4E)-3-methyl-1-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-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

3966-4627

Molecular Formula

C18H21N5O4 (C18 H21 N5 O4)

Compound Name

(4E)-3-methyl-1-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4E)-3-methyl-1-(4-nitrophenyl)-4-({[3-(2-oxopyrrolidin-1-yl)propyl]amino}methylidene)-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C\NCCCN(CCC2)C2=O)=NN1c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C18H21N5O4/c1-13-16(12-19-9-3-11-21-10-2-4-17(21)24)18(25)22(20-13)14-5-7-15(8-6-14)23(26)27/h5-8,12,19H,2-4,9-11H2,1H3

InChI Key

XXWNVUPLSNEDAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02209220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.388

Distribution Coefficient, logD

0.385

Water Solubility, LogSw

-1.96

Polar Surface Area

89.454

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 3966-4627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4627?
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What is the minimum amount of 3966-4627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4627
  • 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 3966-4627 available by request