3966-4624 Screening compound: (4E)-3-methyl-4-[({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)methylidene]-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one

3966-4624 Screening compound: (4E)-3-methyl-4-[({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)methylidene]-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one
3966-4624 Screening compound: (4E)-3-methyl-4-[({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)methylidene]-1-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-4624
(4E)-3-methyl-4-[({2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl}amino)methylidene]-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

3966-4624

Molecular Formula

C21H28N6O4 (C21 H28 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(N1CCN(CCN/C=C(\C(C)=NN2c(cc3)ccc3[N+]([O-])=O)/C2=O)CC1)=O

InChI

InChI=1S/C21H28N6O4/c1-15(2)20(28)25-12-10-24(11-13-25)9-8-22-14-19-16(3)23-26(21(19)29)17-4-6-18(7-5-17)27(30)31/h4-7,14-15,22H,8-13H2,1-3H3

InChI Key

ZZOXWVDGPPNSFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02241888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.981

Distribution Coefficient, logD

0.842

Water Solubility, LogSw

-2.19

Polar Surface Area

92.652

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with 3966-4624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4624?
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What is the minimum amount of 3966-4624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4624
  • 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 3966-4624 available by request