8013-0632 Screening compound: 7-(2-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

8013-0632 Screening compound: 7-(2-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione
8013-0632 Screening compound: 7-(2-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-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 8013-0632
7-(2-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-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

8013-0632

Molecular Formula

C25H18F7N5O2 (C25 H18 F7 N5 O2)

Compound Name

7-(2-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-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-[2-(2-methyl-1H-indol-3-yl)ethyl]-55-bis(trifluoromethyl)-1H2H3H4H5H8H-pyrimido[45-d][13]diazine-24-dione

SMILES

Cc1c(CCN(C(NC(c(cccc2)c2F)=NC2(C(F)(F)F)C(F)(F)F)=C2C(N2)=O)C2=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C25H18F7N5O2/c1-12-13(14-6-3-5-9-17(14)33-12)10-11-37-20-18(21(38)35-22(37)39)23(24(27,28)29,25(30,31)32)36-19(34-20)15-7-2-4-8-16(15)26/h2-9,33H,10-11H2,1H3,(H,34,36)(H,35,38,39)

InChI Key

LVKMGYNULCFFFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.72

Polar Surface Area

72.243

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with 8013-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8013-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0632
  • 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 8013-0632 available by request