4920-0299 Screening compound: 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

4920-0299 Screening compound: 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
4920-0299 Screening compound: 5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4920-0299
5-{[2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-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

4920-0299

Molecular Formula

C18H18N4O2S (C18 H18 N4 O2 S)

Compound Name

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

IUPAC name

5-{[25-dimethyl-1-(pyridin-4-yl)-1H-pyrrol-3-yl]methylidene}-13-dimethyl-2-sulfanylidene-13-diazinane-46-dione

SMILES

Cc1cc(C=C(C(N(C)C(N2C)=S)=O)C2=O)c(C)n1-c1ccncc1

InChI

InChI=1S/C18H18N4O2S/c1-11-9-13(12(2)22(11)14-5-7-19-8-6-14)10-15-16(23)20(3)18(25)21(4)17(15)24/h5-10H,1-4H3

InChI Key

XCEWNDQUGDHZOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03923266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.722

Distribution Coefficient, logD

-0.678

Water Solubility, LogSw

-1.57

Polar Surface Area

43.911

Acid Dissociation Constant (pKa)

30.26

Base Dissociation Constant (pKb)

8.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4920-0299 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4920-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4920-0299?
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What is the minimum amount of 4920-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4920-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4920-0299
  • 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 4920-0299 available by request