3172-0200 Screening compound: 1-(4-ethylphenyl)-4-[(Z)-1-(1H-indol-3-yl)methylidene]-1H-pyrazole-3,5(2H)-dione

3172-0200 Screening compound: 1-(4-ethylphenyl)-4-[(Z)-1-(1H-indol-3-yl)methylidene]-1H-pyrazole-3,5(2H)-dione
3172-0200 Screening compound: 1-(4-ethylphenyl)-4-[(Z)-1-(1H-indol-3-yl)methylidene]-1H-pyrazole-3,5(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3172-0200
1-(4-ethylphenyl)-4-[(Z)-1-(1H-indol-3-yl)methylidene]-1H-pyrazole-3,5(2H)-dione

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

3172-0200

Molecular Formula

C20H17N3O2 (C20 H17 N3 O2)

Compound Name

1-(4-ethylphenyl)-4-[(Z)-1-(1H-indol-3-yl)methylidene]-1H-pyrazole-3,5(2H)-dione

IUPAC name

(4Z)-1-(4-ethylphenyl)-4-[(1H-indol-3-yl)methylidene]pyrazolidine-35-dione

SMILES

CCc(cc1)ccc1N(C(/C1=C\c2c[nH]c3c2cccc3)=O)NC1=O

InChI

InChI=1S/C20H17N3O2/c1-2-13-7-9-15(10-8-13)23-20(25)17(19(24)22-23)11-14-12-21-18-6-4-3-5-16(14)18/h3-12,21H,2H2,1H3,(H,22,24)

InChI Key

VMIKQDDLZRCAJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.276

Water Solubility, LogSw

-3.59

Polar Surface Area

52.631

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 3172-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3172-0200?
Check Price and Availability of 3172-0200, 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 3172-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3172-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3172-0200
  • 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 3172-0200 available by request