8007-3721 Screening compound: 1-(4-chlorophenyl)-4-[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-dione

8007-3721 Screening compound: 1-(4-chlorophenyl)-4-[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-dione
8007-3721 Screening compound: 1-(4-chlorophenyl)-4-[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-3721
1-(4-chlorophenyl)-4-[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-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

8007-3721

Molecular Formula

C18H15ClN2O4 (C18 H15 ClN2 O4)

Compound Name

1-(4-chlorophenyl)-4-[(E)-1-(3-ethoxy-4-hydroxyphenyl)methylidene]-1H-pyrazole-3,5(2H,4H)-dione

IUPAC name

(4E)-1-(4-chlorophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]pyrazolidine-35-dione

SMILES

CCOc(cc(/C=C(\C(NN1c(cc2)ccc2Cl)=O)/C1=O)cc1)c1O

InChI

InChI=1S/C18H15ClN2O4/c1-2-25-16-10-11(3-8-15(16)22)9-14-17(23)20-21(18(14)24)13-6-4-12(19)5-7-13/h3-10,22H,2H2,1H3,(H,20,23)

InChI Key

YXJZWYMYJXULOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.756

Distribution Coefficient, logD

2.384

Water Solubility, LogSw

-3.41

Polar Surface Area

66.518

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8007-3721 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8007-3721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-3721?
Check Price and Availability of 8007-3721, 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 8007-3721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-3721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-3721
  • 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 8007-3721 available by request