1731-0890 Screening compound: 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine

1731-0890 Screening compound: 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
1731-0890 Screening compound: 4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0890
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine

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

1731-0890

Molecular Formula

C13H15F6N5O2 (C13 H15 F6 N5 O2)

Compound Name

4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(111333-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-135-triazin-2-amine

SMILES

C=CCNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1

InChI

InChI=1S/C13H15F6N5O2/c1-2-3-20-9-21-10(24-4-6-25-7-5-24)23-11(22-9)26-8(12(14,15)16)13(17,18)19/h2,8H,1,3-7H2,(H,20,21,22,23)

InChI Key

WJIOOUYHFRHXJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00372149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.799

Distribution Coefficient, logD

3.799

Water Solubility, LogSw

-3.93

Polar Surface Area

58.451

Acid Dissociation Constant (pKa)

14.68

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

1731-0890 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1731-0890 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 1731-0890
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-0890
  • 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 1731-0890 available by request