3699-0556 Screening compound: (5E)-1-(2,3-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

3699-0556 Screening compound: (5E)-1-(2,3-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
3699-0556 Screening compound: (5E)-1-(2,3-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3699-0556
(5E)-1-(2,3-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)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

3699-0556

Molecular Formula

C23H19N3O2S (C23 H19 N3 O2 S)

Compound Name

(5E)-1-(2,3-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

(5E)-1-(23-dimethylphenyl)-5-[(1-phenyl-1H-pyrrol-2-yl)methylidene]-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C/c3cccn3-c3ccccc3)=O)C2=S)c1C

InChI

InChI=1S/C23H19N3O2S/c1-15-8-6-12-20(16(15)2)26-22(28)19(21(27)24-23(26)29)14-18-11-7-13-25(18)17-9-4-3-5-10-17/h3-14H,1-2H3,(H,24,27,29)

InChI Key

NLQRQGQUCNJDCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02624393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.238

Water Solubility, LogSw

-4.32

Polar Surface Area

42.457

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

3699-0556 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3699-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3699-0556?
Check Price and Availability of 3699-0556, 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 3699-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3699-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3699-0556
  • 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 3699-0556 available by request