6259-7159 Screening compound: 7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione

6259-7159 Screening compound: 7-(3-nitrophenyl)-1-phenyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazine-2,4-dione
6259-7159 Screening compound: 7-(3-nitrophenyl)-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 6259-7159
7-(3-nitrophenyl)-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

6259-7159

Molecular Formula

C20H11F6N5O4 (C20 H11 F6 N5 O4)

Compound Name

7-(3-nitrophenyl)-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-(3-nitrophenyl)-1-phenyl-55-bis(trifluoromethyl)-1H2H3H4H5H8H-pyrimido[45-d][13]diazine-24-dione

SMILES

[O-][N+](c1cccc(C(N2)=NC(C(F)(F)F)(C(F)(F)F)C(C(N3)=O)=C2N(c2ccccc2)C3=O)c1)=O

InChI

InChI=1S/C20H11F6N5O4/c21-19(22,23)18(20(24,25)26)13-15(27-14(29-18)10-5-4-8-12(9-10)31(34)35)30(17(33)28-16(13)32)11-6-2-1-3-7-11/h1-9H,(H,27,29)(H,28,32,33)

InChI Key

KEMMLRHVBGJNKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-4.23

Polar Surface Area

95.109

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 6259-7159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6259-7159?
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What is the minimum amount of 6259-7159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6259-7159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6259-7159
  • 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 6259-7159 available by request