K647-0145 Screening compound: N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(3-fluoro-4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

K647-0145 Screening compound: N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(3-fluoro-4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
K647-0145 Screening compound: N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(3-fluoro-4-methylphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K647-0145
N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(3-fluoro-4-methylphenyl)-6-(morpholin-4-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

K647-0145

Molecular Formula

C22H29FN6O (C22 H29 FN6 O)

Compound Name

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

IUPAC name

N2-[2-(cyclohex-1-en-1-yl)ethyl]-N4-(3-fluoro-4-methylphenyl)-6-(morpholin-4-yl)-135-triazine-24-diamine

SMILES

Cc(ccc(Nc1nc(N2CCOCC2)nc(NCCC2=CCCCC2)n1)c1)c1F

InChI

InChI=1S/C22H29FN6O/c1-16-7-8-18(15-19(16)23)25-21-26-20(24-10-9-17-5-3-2-4-6-17)27-22(28-21)29-11-13-30-14-12-29/h5,7-8,15H,2-4,6,9-14H2,1H3,(H2,24,25,26,27,28)

InChI Key

JDIORUBKTCNMDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.804

Distribution Coefficient, logD

5.803

Water Solubility, LogSw

-5.46

Polar Surface Area

61.842

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K647-0145 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K647-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K647-0145?
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What is the minimum amount of K647-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K647-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K647-0145
  • 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 K647-0145 available by request