4340-1291 Screening compound: 3-({(E)-1-[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}amino)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

4340-1291 Screening compound: 3-({(E)-1-[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}amino)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
4340-1291 Screening compound: 3-({(E)-1-[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}amino)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-1291
3-({(E)-1-[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}amino)tetrahydro-1H-1lambda~6~-thiophene-1,1-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

4340-1291

Molecular Formula

C23H25N3O3S (C23 H25 N3 O3 S)

Compound Name

3-({(E)-1-[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}amino)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-[(E)-{[1-phenyl-3-(4-propoxyphenyl)-1H-pyrazol-4-yl]methylidene}amino]-1lambda6-thiolane-11-dione

SMILES

CCCOc(cc1)ccc1-c(c(/C=N/C(CC1)CS1(=O)=O)c1)nn1-c1ccccc1

InChI

InChI=1S/C23H25N3O3S/c1-2-13-29-22-10-8-18(9-11-22)23-19(15-24-20-12-14-30(27,28)17-20)16-26(25-23)21-6-4-3-5-7-21/h3-11,15-16,20H,2,12-14,17H2,1H3/b24-15+/t20-/m1/s1

InChI Key

ZXKYBZYNHXPEGZ-FBTHGLLTSA-N

MDL Number (MFCD)

MFCD02992788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.669

Water Solubility, LogSw

-3.74

Polar Surface Area

59.901

Acid Dissociation Constant (pKa)

20.25

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

4340-1291 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4340-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-1291?
Check Price and Availability of 4340-1291, 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 4340-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-1291
  • 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 4340-1291 available by request