3013-0155 Screening compound: 3-(4-chlorophenyl)-6-methyl-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

3013-0155 Screening compound: 3-(4-chlorophenyl)-6-methyl-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
3013-0155 Screening compound: 3-(4-chlorophenyl)-6-methyl-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3013-0155
3-(4-chlorophenyl)-6-methyl-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-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

3013-0155

Molecular Formula

C12H8ClN5O2 (C12 H8 ClN5 O2)

Compound Name

3-(4-chlorophenyl)-6-methyl-5H,6H,7H,8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione

IUPAC name

3-(4-chlorophenyl)-6-methyl-5H6H7H8H-pyrimido[54-e][124]triazine-57-dione

SMILES

CN(C(c1nc(-c(cc2)ccc2Cl)nnc1N1)=O)C1=O

InChI

InChI=1S/C12H8ClN5O2/c1-18-11(19)8-10(15-12(18)20)17-16-9(14-8)6-2-4-7(13)5-3-6/h2-5H,1H3,(H,15,17,20)

InChI Key

RYUXYMAZPDLYTP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.865

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.97

Polar Surface Area

73.381

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 3013-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3013-0155?
Check Price and Availability of 3013-0155, 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 3013-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3013-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3013-0155
  • 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 3013-0155 available by request