8012-7408 Screening compound: 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

8012-7408 Screening compound: 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione
8012-7408 Screening compound: 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-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 8012-7408
1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-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

8012-7408

Molecular Formula

C26H23F7N4O4 (C26 H23 F7 N4 O4)

Compound Name

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

IUPAC name

1-[2-(34-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-55-bis(trifluoromethyl)-1H2H3H4H5H8H-pyrimido[45-d][13]diazine-24-dione

SMILES

CCOc(ccc(CCN(C(NC(c(cccc1)c1F)=NC1(C(F)(F)F)C(F)(F)F)=C1C(N1)=O)C1=O)c1)c1OCC

InChI

InChI=1S/C26H23F7N4O4/c1-3-40-17-10-9-14(13-18(17)41-4-2)11-12-37-21-19(22(38)35-23(37)39)24(25(28,29)30,26(31,32)33)36-20(34-21)15-7-5-6-8-16(15)27/h5-10,13H,3-4,11-12H2,1-2H3,(H,34,36)(H,35,38,39)

InChI Key

KZGBWYYOTPSWKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.555

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-4.27

Polar Surface Area

76.738

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with 8012-7408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7408?
Check Price and Availability of 8012-7408, 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 8012-7408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7408
  • 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 8012-7408 available by request