2368-0654 Screening compound: (2Z,5E)-2-[(3,5-dimethylphenyl)imino]-5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidin-4-one

2368-0654 Screening compound: (2Z,5E)-2-[(3,5-dimethylphenyl)imino]-5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidin-4-one
2368-0654 Screening compound: (2Z,5E)-2-[(3,5-dimethylphenyl)imino]-5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0654
(2Z,5E)-2-[(3,5-dimethylphenyl)imino]-5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-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

2368-0654

Molecular Formula

C25H24IN3OS (C25 H24 IN3 OS)

Compound Name

(2Z,5E)-2-[(3,5-dimethylphenyl)imino]-5-{[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-thiazolidin-4-one

IUPAC name

(2Z5E)-2-[(35-dimethylphenyl)imino]-5-{[1-(4-iodo-3-methylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-13-thiazolidin-4-one

SMILES

Cc1cc(/C=C(\C(N2)=O)/S/C2=N\c2cc(C)cc(C)c2)c(C)n1-c(cc1)cc(C)c1I

InChI

InChI=1S/C25H24IN3OS/c1-14-8-15(2)10-20(9-14)27-25-28-24(30)23(31-25)13-19-12-17(4)29(18(19)5)21-6-7-22(26)16(3)11-21/h6-13H,1-5H3,(H,27,28,30)

InChI Key

NVJUVUAKEBBVBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01610707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.631

Distribution Coefficient, logD

6.631

Water Solubility, LogSw

-5.61

Polar Surface Area

35.817

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2368-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0654?
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What is the minimum amount of 2368-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0654
  • 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 2368-0654 available by request