6165-0106 Screening compound: 7-(4-chlorophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

6165-0106 Screening compound: 7-(4-chlorophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione
6165-0106 Screening compound: 7-(4-chlorophenyl)-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 6165-0106
7-(4-chlorophenyl)-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

6165-0106

Molecular Formula

C20H11ClF6N4O2 (C20 H11 ClF6 N4 O2)

Compound Name

7-(4-chlorophenyl)-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-chlorophenyl)-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(cc1)ccc1Cl)N1)=C1N1c2ccccc2)NC1=O

InChI

InChI=1S/C20H11ClF6N4O2/c21-11-8-6-10(7-9-11)14-28-15-13(18(30-14,19(22,23)24)20(25,26)27)16(32)29-17(33)31(15)12-4-2-1-3-5-12/h1-9H,(H,28,30)(H,29,32,33)

InChI Key

MKVZRULHLYZYSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.78

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

4.539

Distribution Coefficient, logD

4.042

Water Solubility, LogSw

-4.96

Polar Surface Area

61.728

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 6165-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6165-0106?
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What is the minimum amount of 6165-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6165-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6165-0106
  • 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 6165-0106 available by request