8013-2704 Screening compound: 1-(4-fluorophenyl)-7-(2-methylphenyl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

8013-2704 Screening compound: 1-(4-fluorophenyl)-7-(2-methylphenyl)-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione
8013-2704 Screening compound: 1-(4-fluorophenyl)-7-(2-methylphenyl)-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 8013-2704
1-(4-fluorophenyl)-7-(2-methylphenyl)-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

8013-2704

Molecular Formula

C21H13F7N4O2 (C21 H13 F7 N4 O2)

Compound Name

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

IUPAC name

1-(4-fluorophenyl)-7-(2-methylphenyl)-55-bis(trifluoromethyl)-1H2H3H4H5H8H-pyrimido[45-d][13]diazine-24-dione

SMILES

Cc(cccc1)c1C(N1)=NC(C(F)(F)F)(C(F)(F)F)C(C(N2)=O)=C1N(c(cc1)ccc1F)C2=O

InChI

InChI=1S/C21H13F7N4O2/c1-10-4-2-3-5-13(10)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)12-8-6-11(22)7-9-12/h2-9H,1H3,(H,29,31)(H,30,33,34)

InChI Key

SUKHUYQBIIHSFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.35

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

4.241

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-4.38

Polar Surface Area

61.728

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 8013-2704 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8013-2704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2704
  • 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 8013-2704 available by request