8014-8962 Screening compound: (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

8014-8962 Screening compound: (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
8014-8962 Screening compound: (5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8962
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-[4-(trifluoromethoxy)phenyl]-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

8014-8962

Molecular Formula

C18H13F3N2O3S (C18 H13 F3 N2 O3 S)

Compound Name

(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one

IUPAC name

(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-3-[4-(trifluoromethoxy)phenyl]-13-thiazolidin-4-one

SMILES

COc1ccc(/C=C(/C(N2c(cc3)ccc3OC(F)(F)F)=O)\SC2=N)cc1

InChI

InChI=1S/C18H13F3N2O3S/c1-25-13-6-2-11(3-7-13)10-15-16(24)23(17(22)27-15)12-4-8-14(9-5-12)26-18(19,20)21/h2-10,22H,1H3

InChI Key

IMGKNMWWFHGIFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.463

Distribution Coefficient, logD

4.463

Water Solubility, LogSw

-4.40

Polar Surface Area

46.849

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-10.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8014-8962 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8014-8962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8962?
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What is the minimum amount of 8014-8962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8962
  • 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 8014-8962 available by request