4155-0539 Screening compound: 5-[(3-methylphenyl)imino]dihydro-2,4(1H,3H)-pyrimidinedione

4155-0539 Screening compound: 5-[(3-methylphenyl)imino]dihydro-2,4(1H,3H)-pyrimidinedione
4155-0539 Screening compound: 5-[(3-methylphenyl)imino]dihydro-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4155-0539
5-[(3-methylphenyl)imino]dihydro-2,4(1H,3H)-pyrimidinedione

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

4155-0539

Molecular Formula

C11H11N3O2 (C11 H11 N3 O2)

Compound Name

5-[(3-methylphenyl)imino]dihydro-2,4(1H,3H)-pyrimidinedione

IUPAC name

(5E)-5-[(3-methylphenyl)imino]-13-diazinane-24-dione

SMILES

Cc1cccc(/N=C(\CNC(N2)=O)/C2=O)c1

InChI

InChI=1S/C11H11N3O2/c1-7-3-2-4-8(5-7)13-9-6-12-11(16)14-10(9)15/h2-5H,6H2,1H3,(H2,12,14,15,16)

InChI Key

OLRMAIUDFDCMOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01574318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.938

Distribution Coefficient, logD

0.938

Water Solubility, LogSw

-2.06

Polar Surface Area

56.918

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with 4155-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4155-0539?
Check Price and Availability of 4155-0539, 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 4155-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4155-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4155-0539
  • 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 4155-0539 available by request