6259-7170 Screening compound: 7-(4-methoxyphenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

6259-7170 Screening compound: 7-(4-methoxyphenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione
6259-7170 Screening compound: 7-(4-methoxyphenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6259-7170
7-(4-methoxyphenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-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

6259-7170

Molecular Formula

C21H14F6N4O3 (C21 H14 F6 N4 O3)

Compound Name

7-(4-methoxyphenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

IUPAC name

7-(4-methoxyphenyl)-1-phenyl-55-bis(trifluoromethyl)-1H2H3H4H5H8H-pyrimido[45-d][13]diazine-24-dione

SMILES

COc(cc1)ccc1C(N1)=NC(C(F)(F)F)(C(F)(F)F)C(C(N2)=O)=C1N(c1ccccc1)C2=O

InChI

InChI=1S/C21H14F6N4O3/c1-34-13-9-7-11(8-10-13)15-28-16-14(19(30-15,20(22,23)24)21(25,26)27)17(32)29-18(33)31(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,28,30)(H,29,32,33)

InChI Key

AJAMRQPZIQDIBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.927

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.15

Polar Surface Area

69.271

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 6259-7170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6259-7170?
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What is the minimum amount of 6259-7170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6259-7170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6259-7170
  • 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 6259-7170 available by request