4920-0788 Screening compound: 5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

4920-0788 Screening compound: 5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
4920-0788 Screening compound: 5-{[1-(2-methoxyethyl)-2,5-dimethyl-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 4920-0788
5-{[1-(2-methoxyethyl)-2,5-dimethyl-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

4920-0788

Molecular Formula

C16H21N3O3S (C16 H21 N3 O3 S)

Compound Name

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

IUPAC name

5-{[1-(2-methoxyethyl)-25-dimethyl-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)n1CCOC

InChI

InChI=1S/C16H21N3O3S/c1-10-8-12(11(2)19(10)6-7-22-5)9-13-14(20)17(3)16(23)18(4)15(13)21/h8-9H,6-7H2,1-5H3

InChI Key

HXGDBXWPGFIGNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04019452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.488

Distribution Coefficient, logD

0.488

Water Solubility, LogSw

-1.41

Polar Surface Area

42.332

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

4920-0788 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4920-0788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4920-0788?
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What is the minimum amount of 4920-0788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4920-0788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4920-0788
  • 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 4920-0788 available by request