5609-0987 Screening compound: 5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

5609-0987 Screening compound: 5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione
5609-0987 Screening compound: 5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5609-0987
5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

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

5609-0987

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

5-{[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[1-(5-chloro-2-methylphenyl)-25-dimethyl-1H-pyrrol-3-yl]methylidene}-13-diazinane-246-trione

SMILES

Cc1cc(C=C(C(NC(N2)=O)=O)C2=O)c(C)n1-c1c(C)ccc(Cl)c1

InChI

InChI=1S/C18H16ClN3O3/c1-9-4-5-13(19)8-15(9)22-10(2)6-12(11(22)3)7-14-16(23)20-18(25)21-17(14)24/h4-8H,1-3H3,(H2,20,21,23,24,25)

InChI Key

OVVQPMICMDOTIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03712303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.684

Distribution Coefficient, logD

2.588

Water Solubility, LogSw

-3.56

Polar Surface Area

65.007

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 5609-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5609-0987?
Check Price and Availability of 5609-0987, 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 5609-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5609-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5609-0987
  • 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 5609-0987 available by request