3184-2436 Screening compound: 2-[(3-{[(2E,5Z)-3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

3184-2436 Screening compound: 2-[(3-{[(2E,5Z)-3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
3184-2436 Screening compound: 2-[(3-{[(2E,5Z)-3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3184-2436
2-[(3-{[(2E,5Z)-3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

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

3184-2436

Molecular Formula

C32H28N4OS (C32 H28 N4 OS)

Compound Name

2-[(3-{[(2E,5Z)-3-cyclohexyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

IUPAC name

2-[(3-{[(2E5Z)-3-cyclohexyl-4-oxo-2-(phenylimino)-13-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

SMILES

N#Cc1c(Cn2c(cccc3)c3c(/C=C(/C(N3C4CCCCC4)=O)\S/C3=N/c3ccccc3)c2)cccc1

InChI

InChI=1S/C32H28N4OS/c33-20-23-11-7-8-12-24(23)21-35-22-25(28-17-9-10-18-29(28)35)19-30-31(37)36(27-15-5-2-6-16-27)32(38-30)34-26-13-3-1-4-14-26/h1,3-4,7-14,17-19,22,27H,2,5-6,15-16,21H2

InChI Key

BDDGUMZNPLVPKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.013

Distribution Coefficient, logD

7.013

Water Solubility, LogSw

-6.15

Polar Surface Area

42.874

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.90

3184-2436 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 3184-2436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3184-2436?
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What is the minimum amount of 3184-2436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3184-2436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3184-2436
  • 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 3184-2436 available by request