3660-0259 Screening compound: 1,5-dimethyl-4-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

3660-0259 Screening compound: 1,5-dimethyl-4-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
3660-0259 Screening compound: 1,5-dimethyl-4-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3660-0259
1,5-dimethyl-4-[(7-nitro-2,1,3-benzoxadiazol-4-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

3660-0259

Molecular Formula

C17H14N6O4 (C17 H14 N6 O4)

Compound Name

1,5-dimethyl-4-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

15-dimethyl-4-[(7-nitro-213-benzoxadiazol-4-yl)amino]-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1Nc(c1nonc11)ccc1[N+]([O-])=O

InChI

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

InChI Key

FBRDXTDTENFTQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582733

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

2.195

Distribution Coefficient, logD

1.699

Water Solubility, LogSw

-2.65

Polar Surface Area

98.775

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3660-0259 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 3660-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3660-0259?
Check Price and Availability of 3660-0259, 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 3660-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3660-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3660-0259
  • 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 3660-0259 available by request