3697-0146 Screening compound: (4Z)-1-(3-chlorophenyl)-3-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-5-one

3697-0146 Screening compound: (4Z)-1-(3-chlorophenyl)-3-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-5-one
3697-0146 Screening compound: (4Z)-1-(3-chlorophenyl)-3-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3697-0146
(4Z)-1-(3-chlorophenyl)-3-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-5-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

3697-0146

Molecular Formula

C21H14ClN3O4 (C21 H14 ClN3 O4)

Compound Name

(4Z)-1-(3-chlorophenyl)-3-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

(4Z)-1-(3-chlorophenyl)-3-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-45-dihydro-1H-pyrazol-5-one

SMILES

CC(/C(/C1=O)=C/c2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)=NN1c1cccc(Cl)c1

InChI

InChI=1S/C21H14ClN3O4/c1-13-19(21(26)24(23-13)17-4-2-3-15(22)11-17)12-18-9-10-20(29-18)14-5-7-16(8-6-14)25(27)28/h2-12H,1H3

InChI Key

YVSWRWUXVHHQPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02614711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.347

Distribution Coefficient, logD

5.347

Water Solubility, LogSw

-5.95

Polar Surface Area

66.538

Acid Dissociation Constant (pKa)

27.44

Base Dissociation Constant (pKb)

2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3697-0146 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 3697-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3697-0146?
Check Price and Availability of 3697-0146, 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 3697-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3697-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3697-0146
  • 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 3697-0146 available by request