1642-0006 Screening compound: (Z)-N,N'-bis(4-methylphenyl)-1-{[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]sulfanyl}methanimidamide

1642-0006 Screening compound: (Z)-N,N'-bis(4-methylphenyl)-1-{[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]sulfanyl}methanimidamide
1642-0006 Screening compound: (Z)-N,N'-bis(4-methylphenyl)-1-{[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]sulfanyl}methanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1642-0006
(Z)-N,N'-bis(4-methylphenyl)-1-{[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]sulfanyl}methanimidamide

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

1642-0006

Molecular Formula

C25H23N3O2S2 (C25 H23 N3 O2 S2)

Compound Name

(Z)-N,N'-bis(4-methylphenyl)-1-{[3-(4-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]sulfanyl}methanimidamide

IUPAC name

(Z)-NN'-bis(4-methylphenyl)-1-{[3-(4-methylphenyl)-24-dioxo-13-thiazolidin-5-yl]sulfanyl}methanimidamide

SMILES

Cc(cc1)ccc1N/C(/SC(C(N1c2ccc(C)cc2)=O)SC1=O)=N/c1ccc(C)cc1

InChI

InChI=1S/C25H23N3O2S2/c1-16-4-10-19(11-5-16)26-24(27-20-12-6-17(2)7-13-20)31-23-22(29)28(25(30)32-23)21-14-8-18(3)9-15-21/h4-15,23H,1-3H3,(H,26,27)/t23-/m0/s1

InChI Key

JMJFOHCLGYJSFZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01027844

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.331

Distribution Coefficient, logD

6.330

Water Solubility, LogSw

-5.55

Polar Surface Area

46.272

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

1642-0006 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 1642-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1642-0006?
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What is the minimum amount of 1642-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1642-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1642-0006
  • 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 1642-0006 available by request