1685-0014 Screening compound: 4-({[4-(diethylamino)-3-nitrophenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

1685-0014 Screening compound: 4-({[4-(diethylamino)-3-nitrophenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
1685-0014 Screening compound: 4-({[4-(diethylamino)-3-nitrophenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1685-0014
4-({[4-(diethylamino)-3-nitrophenyl]methylidene}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

1685-0014

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

4-({[4-(diethylamino)-3-nitrophenyl]methylidene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-({[4-(diethylamino)-3-nitrophenyl]methylidene}amino)-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CCN(CC)c(ccc(C=NC(C1=O)=C(C)N(C)N1c1ccccc1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C22H25N5O3/c1-5-25(6-2)19-13-12-17(14-20(19)27(29)30)15-23-21-16(3)24(4)26(22(21)28)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3

InChI Key

XLXNKBFIUHLFPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00654925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.901

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.60

Polar Surface Area

64.263

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 1685-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1685-0014?
Check Price and Availability of 1685-0014, 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 1685-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1685-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1685-0014
  • 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 1685-0014 available by request