4762-1092 Screening compound: (2E,5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one

4762-1092 Screening compound: (2E,5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
4762-1092 Screening compound: (2E,5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4762-1092
(2E,5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-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

4762-1092

Molecular Formula

C20H20FN3O2S (C20 H20 FN3 O2 S)

Compound Name

(2E,5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one

IUPAC name

(2E5E)-5-{[5-(azepan-1-yl)furan-2-yl]methylidene}-2-[(4-fluorophenyl)imino]-13-thiazolidin-4-one

SMILES

O=C(/C(/S1)=C\c2ccc(N3CCCCCC3)o2)N/C1=N\c(cc1)ccc1F

InChI

InChI=1S/C20H20FN3O2S/c21-14-5-7-15(8-6-14)22-20-23-19(25)17(27-20)13-16-9-10-18(26-16)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12H2,(H,22,23,25)

InChI Key

IBPPVKBJZSDADR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.15

Polar Surface Area

45.385

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4762-1092 in Drug Discovery

Included in Screening Libraries

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

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4762-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4762-1092?
Check Price and Availability of 4762-1092, 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 4762-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4762-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4762-1092
  • 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 4762-1092 available by request