5721-0008 Screening compound: (5Z)-5-{[4-(diethylamino)-2-[(4-fluorophenyl)methoxy]phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one

5721-0008 Screening compound: (5Z)-5-{[4-(diethylamino)-2-[(4-fluorophenyl)methoxy]phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one
5721-0008 Screening compound: (5Z)-5-{[4-(diethylamino)-2-[(4-fluorophenyl)methoxy]phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5721-0008
(5Z)-5-{[4-(diethylamino)-2-[(4-fluorophenyl)methoxy]phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-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

5721-0008

Molecular Formula

C29H30FN3O2S (C29 H30 FN3 O2 S)

Compound Name

(5Z)-5-{[4-(diethylamino)-2-[(4-fluorophenyl)methoxy]phenyl]methylidene}-3-(3,4-dimethylphenyl)-2-imino-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[4-(diethylamino)-2-[(4-fluorophenyl)methoxy]phenyl]methylidene}-3-(34-dimethylphenyl)-2-imino-13-thiazolidin-4-one

SMILES

CCN(CC)c1cc(OCc(cc2)ccc2F)c(/C=C(/C(N2c3cc(C)c(C)cc3)=O)\SC2=N)cc1

InChI

InChI=1S/C29H30FN3O2S/c1-5-32(6-2)24-14-10-22(26(17-24)35-18-21-8-11-23(30)12-9-21)16-27-28(34)33(29(31)36-27)25-13-7-19(3)20(4)15-25/h7-17,31H,5-6,18H2,1-4H3

InChI Key

DCIOCZHVJPBVLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.053

Distribution Coefficient, logD

7.052

Water Solubility, LogSw

-5.66

Polar Surface Area

43.419

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

5721-0008 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5721-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5721-0008?
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What is the minimum amount of 5721-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5721-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5721-0008
  • 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 5721-0008 available by request