5594-2781 Screening compound: 6-(azepan-1-yl)-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

5594-2781 Screening compound: 6-(azepan-1-yl)-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine
5594-2781 Screening compound: 6-(azepan-1-yl)-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2781
6-(azepan-1-yl)-N2,N4-diphenyl-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

5594-2781

Molecular Formula

C21H24N6 (C21 H24 N6)

Compound Name

6-(azepan-1-yl)-N2,N4-diphenyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-(azepan-1-yl)-N2N4-diphenyl-135-triazine-24-diamine

SMILES

C(CCC1)CCN1c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1

InChI

InChI=1S/C21H24N6/c1-2-10-16-27(15-9-1)21-25-19(22-17-11-5-3-6-12-17)24-20(26-21)23-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,22,23,24,25,26)

InChI Key

KDPUBXDYODZMLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03164965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.348

Distribution Coefficient, logD

6.347

Water Solubility, LogSw

-6.15

Polar Surface Area

52.908

Acid Dissociation Constant (pKa)

17.73

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5594-2781 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5594-2781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2781?
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What is the minimum amount of 5594-2781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2781
  • 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 5594-2781 available by request