1514-0418 Screening compound: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide

1514-0418 Screening compound: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide
1514-0418 Screening compound: 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1514-0418
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide

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

1514-0418

Molecular Formula

C18H15ClN4O4 (C18 H15 ClN4 O4)

Compound Name

4-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide

IUPAC name

4-chloro-N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-3-nitrobenzamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(c(cc1)cc([N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C18H15ClN4O4/c1-11-16(18(25)22(21(11)2)13-6-4-3-5-7-13)20-17(24)12-8-9-14(19)15(10-12)23(26)27/h3-10H,1-2H3,(H,20,24)

InChI Key

VDAMECRWEWPQFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01002631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.813

Distribution Coefficient, logD

-0.785

Water Solubility, LogSw

-2.83

Polar Surface Area

76.791

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 1514-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1514-0418?
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What is the minimum amount of 1514-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1514-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1514-0418
  • 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 1514-0418 available by request