K647-0111 Screening compound: N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(4-ethoxyphenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

K647-0111 Screening compound: N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(4-ethoxyphenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
K647-0111 Screening compound: N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(4-ethoxyphenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K647-0111
N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(4-ethoxyphenyl)-6-(pyrrolidin-1-yl)-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

K647-0111

Molecular Formula

C23H32N6O (C23 H32 N6 O)

Compound Name

N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(4-ethoxyphenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(4-ethoxyphenyl)-6-(pyrrolidin-1-yl)-135-triazine-24-diamine

SMILES

CCOc(cc1)ccc1Nc1nc(N2CCCC2)nc(NCCC2=CCCCC2)n1

InChI

InChI=1S/C23H32N6O/c1-2-30-20-12-10-19(11-13-20)25-22-26-21(24-15-14-18-8-4-3-5-9-18)27-23(28-22)29-16-6-7-17-29/h8,10-13H,2-7,9,14-17H2,1H3,(H2,24,25,26,27,28)

InChI Key

KJKGFEPTIATPMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.350

Distribution Coefficient, logD

6.349

Water Solubility, LogSw

-5.61

Polar Surface Area

61.423

Acid Dissociation Constant (pKa)

16.38

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

K647-0111 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K647-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K647-0111?
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What is the minimum amount of K647-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K647-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K647-0111
  • 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 K647-0111 available by request