1731-0902 Screening compound: N2,N2-DIETHYL-6-[(1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL)OXY]-N4-PHENYL-1,3,5-TRIAZINE-2,4-DIAMINE

1731-0902 Screening compound: N2,N2-DIETHYL-6-[(1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL)OXY]-N4-PHENYL-1,3,5-TRIAZINE-2,4-DIAMINE
1731-0902 Screening compound: N2,N2-DIETHYL-6-[(1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL)OXY]-N4-PHENYL-1,3,5-TRIAZINE-2,4-DIAMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0902
N2,N2-DIETHYL-6-[(1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL)OXY]-N4-PHENYL-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

1731-0902

Molecular Formula

C16H17F6N5O (C16 H17 F6 N5 O)

Compound Name

N2,N2-DIETHYL-6-[(1,1,1,3,3,3-HEXAFLUOROPROPAN-2-YL)OXY]-N4-PHENYL-1,3,5-TRIAZINE-2,4-DIAMINE

IUPAC name

n/a

SMILES

CCN(CC)c1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1

InChI

InChI=1S/C16H17F6N5O/c1-3-27(4-2)13-24-12(23-10-8-6-5-7-9-10)25-14(26-13)28-11(15(17,18)19)16(20,21)22/h5-9,11H,3-4H2,1-2H3,(H,23,24,25,26)

InChI Key

IYBYNKMFAKRALS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00349966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.039

Distribution Coefficient, logD

6.039

Water Solubility, LogSw

-5.68

Polar Surface Area

48.391

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

1731-0902 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1731-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1731-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-0902
  • 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 1731-0902 available by request