2368-0969 Screening compound: 5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

2368-0969 Screening compound: 5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
2368-0969 Screening compound: 5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2368-0969
5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-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

2368-0969

Molecular Formula

C31H27N3O2S (C31 H27 N3 O2 S)

Compound Name

5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

5-{[1-(35-dimethylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-13-diphenyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc1cc(C=C(C(N(c2ccccc2)C(N2c3ccccc3)=S)=O)C2=O)c(C)n1-c1cc(C)cc(C)c1

InChI

InChI=1S/C31H27N3O2S/c1-20-15-21(2)17-27(16-20)32-22(3)18-24(23(32)4)19-28-29(35)33(25-11-7-5-8-12-25)31(37)34(30(28)36)26-13-9-6-10-14-26/h5-19H,1-4H3

InChI Key

BFQPXGISIXCCMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01541258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.414

Distribution Coefficient, logD

5.414

Water Solubility, LogSw

-5.42

Polar Surface Area

33.185

Acid Dissociation Constant (pKa)

28.92

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

References: we are preparing a list of scientific research reports with 2368-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2368-0969?
Check Price and Availability of 2368-0969, 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 2368-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2368-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2368-0969
  • 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 2368-0969 available by request