4285-2755 Screening compound: propyl 2-chloro-5-(5-{[(3Z)-5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

4285-2755 Screening compound: propyl 2-chloro-5-(5-{[(3Z)-5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate
4285-2755 Screening compound: propyl 2-chloro-5-(5-{[(3Z)-5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4285-2755
propyl 2-chloro-5-(5-{[(3Z)-5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

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

4285-2755

Molecular Formula

C25H23ClN2O6 (C25 H23 ClN2 O6)

Compound Name

propyl 2-chloro-5-(5-{[(3Z)-5-cyano-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

propyl 2-chloro-5-(5-{[(3Z)-5-cyano-1-(3-hydroxypropyl)-4-methyl-26-dioxo-1236-tetrahydropyridin-3-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCCOC(c(cc(cc1)-c2ccc(/C=C(/C(C)=C(C(N3CCCO)=O)C#N)\C3=O)o2)c1Cl)=O

InChI

InChI=1S/C25H23ClN2O6/c1-3-11-33-25(32)19-12-16(5-7-21(19)26)22-8-6-17(34-22)13-18-15(2)20(14-27)24(31)28(23(18)30)9-4-10-29/h5-8,12-13,29H,3-4,9-11H2,1-2H3

InChI Key

LSZZQVKLNPOCRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.92

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.52

Polar Surface Area

91.705

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

-3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

4285-2755 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4285-2755 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4285-2755?
Check Price and Availability of 4285-2755, 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 4285-2755 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4285-2755
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4285-2755
  • 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 4285-2755 available by request