8012-3183 Screening compound: 2-({4-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl}amino)-1-ethanol

8012-3183 Screening compound: 2-({4-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl}amino)-1-ethanol
8012-3183 Screening compound: 2-({4-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl}amino)-1-ethanol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3183
2-({4-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl}amino)-1-ethanol

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

8012-3183

Molecular Formula

C14H13F6N5O3 (C14 H13 F6 N5 O3)

Compound Name

2-({4-(2,2,2-trifluoroethoxy)-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl}amino)-1-ethanol

IUPAC name

2-{[4-(222-trifluoroethoxy)-6-{[4-(trifluoromethoxy)phenyl]amino}-135-triazin-2-yl]amino}ethan-1-ol

SMILES

OCCNc1nc(Nc(cc2)ccc2OC(F)(F)F)nc(OCC(F)(F)F)n1

InChI

InChI=1S/C14H13F6N5O3/c15-13(16,17)7-27-12-24-10(21-5-6-26)23-11(25-12)22-8-1-3-9(4-2-8)28-14(18,19)20/h1-4,26H,5-7H2,(H2,21,22,23,24,25)

InChI Key

WRNGFBKPKLHGOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.605

Distribution Coefficient, logD

4.605

Water Solubility, LogSw

-4.44

Polar Surface Area

81.526

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.71

References: we are preparing a list of scientific research reports with 8012-3183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3183?
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What is the minimum amount of 8012-3183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3183
  • 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 8012-3183 available by request