1731-0033 Screening compound: N2-(butan-2-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

1731-0033 Screening compound: N2-(butan-2-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
1731-0033 Screening compound: N2-(butan-2-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0033
N2-(butan-2-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N4-(4-nitrophenyl)-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

1731-0033

Molecular Formula

C16H16F6N6O3 (C16 H16 F6 N6 O3)

Compound Name

N2-(butan-2-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(butan-2-yl)-6-[(111333-hexafluoropropan-2-yl)oxy]-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

CCC(C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(Nc(cc2)ccc2[N+]([O-])=O)n1

InChI

InChI=1S/C16H16F6N6O3/c1-3-8(2)23-12-25-13(24-9-4-6-10(7-5-9)28(29)30)27-14(26-12)31-11(15(17,18)19)16(20,21)22/h4-8,11H,3H2,1-2H3,(H2,23,24,25,26,27)/t8-/m0/s1

InChI Key

AJVPZTOSBMBBRV-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00331708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.863

Distribution Coefficient, logD

5.863

Water Solubility, LogSw

-5.64

Polar Surface Area

91.191

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with 1731-0033 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 1731-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
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Delivery formats for 1731-0033
  • 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 1731-0033 available by request