2799-0007 Screening compound: 1-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

2799-0007 Screening compound: 1-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
2799-0007 Screening compound: 1-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2799-0007
1-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-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

2799-0007

Molecular Formula

C18H17N3O4 (C18 H17 N3 O4)

Compound Name

1-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

IUPAC name

1-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

CC(N(C(C1)c(cc2)ccc2[N+]([O-])=O)N=C1c(cc1)ccc1OC)=O

InChI

InChI=1S/C18H17N3O4/c1-12(22)20-18(14-3-7-15(8-4-14)21(23)24)11-17(19-20)13-5-9-16(25-2)10-6-13/h3-10,18H,11H2,1-2H3/t18-/m0/s1

InChI Key

BXGHDQTYELTWIQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01933013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.490

Distribution Coefficient, logD

3.490

Water Solubility, LogSw

-3.51

Polar Surface Area

68.779

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

2799-0007 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 2799-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2799-0007?
Check Price and Availability of 2799-0007, 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 2799-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2799-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2799-0007
  • 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 2799-0007 available by request