7834-0115 Screening compound: 7-phenyl-1-(prop-2-en-1-yl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazin-4-one

7834-0115 Screening compound: 7-phenyl-1-(prop-2-en-1-yl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazin-4-one
7834-0115 Screening compound: 7-phenyl-1-(prop-2-en-1-yl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7834-0115
7-phenyl-1-(prop-2-en-1-yl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazin-4-one

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

7834-0115

Molecular Formula

C17H12F6N4OS (C17 H12 F6 N4 OS)

Compound Name

7-phenyl-1-(prop-2-en-1-yl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-pyrimido[4,5-d][1,3]diazin-4-one

IUPAC name

7-phenyl-1-(prop-2-en-1-yl)-2-sulfanylidene-55-bis(trifluoromethyl)-1H2H3H4H5H8H-pyrimido[45-d][13]diazin-4-one

SMILES

C=CCN(C(NC(c1ccccc1)=NC1(C(F)(F)F)C(F)(F)F)=C1C(N1)=O)C1=S

InChI

InChI=1S/C17H12F6N4OS/c1-2-8-27-12-10(13(28)25-14(27)29)15(16(18,19)20,17(21,22)23)26-11(24-12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,24,26)(H,25,28,29)

InChI Key

XVVCDOWVVNTIAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06177158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.13

Polar Surface Area

49.427

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 7834-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7834-0115?
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What is the minimum amount of 7834-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7834-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7834-0115
  • 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 7834-0115 available by request