3660-0260 Screening compound: 1,5-dimethyl-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

3660-0260 Screening compound: 1,5-dimethyl-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
3660-0260 Screening compound: 1,5-dimethyl-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0260
1,5-dimethyl-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-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

3660-0260

Molecular Formula

C17H14N6O4 (C17 H14 N6 O4)

Compound Name

1,5-dimethyl-4-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

15-dimethyl-4-[(4-nitro-213-benzoxadiazol-5-yl)amino]-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1Nc(ccc1nonc11)c1[N+]([O-])=O

InChI

InChI=1S/C17H14N6O4/c1-10-14(17(24)22(21(10)2)11-6-4-3-5-7-11)18-13-9-8-12-15(20-27-19-12)16(13)23(25)26/h3-9,18H,1-2H3

InChI Key

LTAHAGBSAFOMDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

0.092

Water Solubility, LogSw

-2.69

Polar Surface Area

97.704

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3660-0260 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3660-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0260?
Check Price and Availability of 3660-0260, 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 3660-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0260
  • 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 3660-0260 available by request