K647-0116 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-N-[4-(1-pyrrolidinyl)-6-(3-toluidino)-1,3,5-triazin-2-yl]amine

K647-0116 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-N-[4-(1-pyrrolidinyl)-6-(3-toluidino)-1,3,5-triazin-2-yl]amine
K647-0116 Screening compound: N-[2-(1-cyclohexenyl)ethyl]-N-[4-(1-pyrrolidinyl)-6-(3-toluidino)-1,3,5-triazin-2-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K647-0116
N-[2-(1-cyclohexenyl)ethyl]-N-[4-(1-pyrrolidinyl)-6-(3-toluidino)-1,3,5-triazin-2-yl]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

K647-0116

Molecular Formula

C22H30N6 (C22 H30 N6)

Compound Name

N-[2-(1-cyclohexenyl)ethyl]-N-[4-(1-pyrrolidinyl)-6-(3-toluidino)-1,3,5-triazin-2-yl]amine

IUPAC name

N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(3-methylphenyl)-6-(pyrrolidin-1-yl)-135-triazine-24-diamine

SMILES

Cc1cccc(Nc2nc(NCCC3=CCCCC3)nc(N3CCCC3)n2)c1

InChI

InChI=1S/C22H30N6/c1-17-8-7-11-19(16-17)24-21-25-20(23-13-12-18-9-3-2-4-10-18)26-22(27-21)28-14-5-6-15-28/h7-9,11,16H,2-6,10,12-15H2,1H3,(H2,23,24,25,26,27)

InChI Key

RVFFCTOLXCRGLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.341

Distribution Coefficient, logD

6.340

Water Solubility, LogSw

-5.60

Polar Surface Area

54.299

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with K647-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K647-0116?
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What is the minimum amount of K647-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K647-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K647-0116
  • 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 K647-0116 available by request