0806-0305 Screening compound: 2,4-bis(piperidin-1-yl)-6-[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazin-1-yl]-1,3,5-triazine

0806-0305 Screening compound: 2,4-bis(piperidin-1-yl)-6-[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazin-1-yl]-1,3,5-triazine
0806-0305 Screening compound: 2,4-bis(piperidin-1-yl)-6-[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazin-1-yl]-1,3,5-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0806-0305
2,4-bis(piperidin-1-yl)-6-[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazin-1-yl]-1,3,5-triazine

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

0806-0305

Molecular Formula

C21H26F3N7 (C21 H26 F3 N7)

Compound Name

2,4-bis(piperidin-1-yl)-6-[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazin-1-yl]-1,3,5-triazine

IUPAC name

24-bis(piperidin-1-yl)-6-[(2E)-2-{[4-(trifluoromethyl)phenyl]methylidene}hydrazin-1-yl]-135-triazine

SMILES

FC(c1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1)(F)F

InChI

InChI=1S/C21H26F3N7/c22-21(23,24)17-9-7-16(8-10-17)15-25-29-18-26-19(30-11-3-1-4-12-30)28-20(27-18)31-13-5-2-6-14-31/h7-10,15H,1-6,11-14H2,(H,26,27,28,29)

InChI Key

XOHAJDMDHIBEGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00641150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.612

Distribution Coefficient, logD

6.492

Water Solubility, LogSw

-6.40

Polar Surface Area

57.135

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

0806-0305 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 0806-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0806-0305?
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What is the minimum amount of 0806-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0806-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0806-0305
  • 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 0806-0305 available by request