1731-0898 Screening compound: 6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N2,N2-diphenyl-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

1731-0898 Screening compound: 6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N2,N2-diphenyl-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
1731-0898 Screening compound: 6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N2,N2-diphenyl-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0898
6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N2,N2-diphenyl-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

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

1731-0898

Molecular Formula

C21H17F6N5O (C21 H17 F6 N5 O)

Compound Name

6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N2,N2-diphenyl-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(111333-hexafluoropropan-2-yl)oxy]-N2N2-diphenyl-N4-(prop-2-en-1-yl)-135-triazine-24-diamine

SMILES

C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1

InChI

InChI=1S/C21H17F6N5O/c1-2-13-28-17-29-18(31-19(30-17)33-16(20(22,23)24)21(25,26)27)32(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12,16H,1,13H2,(H,28,29,30,31)

InChI Key

INRQJQUGUVNMPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00321405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.296

Distribution Coefficient, logD

6.296

Water Solubility, LogSw

-6.12

Polar Surface Area

48.765

Acid Dissociation Constant (pKa)

16.74

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 1731-0898 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-0898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
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Delivery formats for 1731-0898
  • 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 1731-0898 available by request