4243-1055 Screening compound: (5Z)-1-(3,5-dichlorophenyl)-5-{[4-(2,3-dihydro-1H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

4243-1055 Screening compound: (5Z)-1-(3,5-dichlorophenyl)-5-{[4-(2,3-dihydro-1H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
4243-1055 Screening compound: (5Z)-1-(3,5-dichlorophenyl)-5-{[4-(2,3-dihydro-1H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4243-1055
(5Z)-1-(3,5-dichlorophenyl)-5-{[4-(2,3-dihydro-1H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

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

4243-1055

Molecular Formula

C26H19Cl2N3O3S (C26 H19 Cl2 N3 O3 S)

Compound Name

(5Z)-1-(3,5-dichlorophenyl)-5-{[4-(2,3-dihydro-1H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5Z)-1-(35-dichlorophenyl)-5-{[4-(23-dihydro-1H-isoindol-2-yl)-2-methoxyphenyl]methylidene}-2-sulfanylidene-13-diazinane-46-dione

SMILES

COc1c(/C=C(/C(NC(N2c3cc(Cl)cc(Cl)c3)=S)=O)\C2=O)ccc(N(C2)Cc3c2cccc3)c1

InChI

InChI=1S/C26H19Cl2N3O3S/c1-34-23-12-20(30-13-16-4-2-3-5-17(16)14-30)7-6-15(23)8-22-24(32)29-26(35)31(25(22)33)21-10-18(27)9-19(28)11-21/h2-12H,13-14H2,1H3,(H,29,32,35)

InChI Key

GAGPGYWQNVINQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709564

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.832

Distribution Coefficient, logD

4.111

Water Solubility, LogSw

-6.01

Polar Surface Area

51.272

Acid Dissociation Constant (pKa)

5.69

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 4243-1055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4243-1055?
Check Price and Availability of 4243-1055, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4243-1055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4243-1055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4243-1055
  • 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 4243-1055 available by request