6165-0107 Screening compound: 7-(2-fluorophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

6165-0107 Screening compound: 7-(2-fluorophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione
6165-0107 Screening compound: 7-(2-fluorophenyl)-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 6165-0107
7-(2-fluorophenyl)-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

6165-0107

Molecular Formula

C20H11F7N4O2 (C20 H11 F7 N4 O2)

Compound Name

7-(2-fluorophenyl)-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-(2-fluorophenyl)-1-phenyl-55-bis(trifluoromethyl)-1H2H3H4H5H8H-pyrimido[45-d][13]diazine-24-dione

SMILES

O=C(C(C(C(F)(F)F)(C(F)(F)F)N=C(c(cccc1)c1F)N1)=C1N1c2ccccc2)NC1=O

InChI

InChI=1S/C20H11F7N4O2/c21-12-9-5-4-8-11(12)14-28-15-13(18(30-14,19(22,23)24)20(25,26)27)16(32)29-17(33)31(15)10-6-2-1-3-7-10/h1-9H,(H,28,30)(H,29,32,33)

InChI Key

NZBKCDSURFLEBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

3.281

Water Solubility, LogSw

-4.21

Polar Surface Area

61.728

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 6165-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6165-0107?
Check Price and Availability of 6165-0107, 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 6165-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6165-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6165-0107
  • 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 6165-0107 available by request