8451-03399 Screening compound: 5-{[(4-hydroxy-6-methylpyrimidin-2-yl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione

8451-03399 Screening compound: 5-{[(4-hydroxy-6-methylpyrimidin-2-yl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
8451-03399 Screening compound: 5-{[(4-hydroxy-6-methylpyrimidin-2-yl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-03399
5-{[(4-hydroxy-6-methylpyrimidin-2-yl)amino]methylidene}-1,3-dimethyl-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

8451-03399

Molecular Formula

C12H13N5O4 (C12 H13 N5 O4)

Compound Name

5-{[(4-hydroxy-6-methylpyrimidin-2-yl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[(4-hydroxy-6-methylpyrimidin-2-yl)amino]methylidene}-13-dimethyl-13-diazinane-246-trione

SMILES

Cc1nc(NC=C(C(N(C)C(N2C)=O)=O)C2=O)nc(O)c1

InChI

InChI=1S/C12H13N5O4/c1-6-4-8(18)15-11(14-6)13-5-7-9(19)16(2)12(21)17(3)10(7)20/h4-5H,1-3H3,(H2,13,14,15,18)

InChI Key

FPHBFDFTGHBFRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03615484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.064

Distribution Coefficient, logD

-2.462

Water Solubility, LogSw

-1.13

Polar Surface Area

93.497

Acid Dissociation Constant (pKa)

5.00

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8451-03399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-03399?
Check Price and Availability of 8451-03399, 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 8451-03399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-03399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-03399
  • 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 8451-03399 available by request