K890-0065 Screening compound: N2-cyclohexyl-6-methoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

K890-0065 Screening compound: N2-cyclohexyl-6-methoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
K890-0065 Screening compound: N2-cyclohexyl-6-methoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0065
N2-cyclohexyl-6-methoxy-N4-(4-nitrophenyl)-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

K890-0065

Molecular Formula

C16H20N6O3 (C16 H20 N6 O3)

Compound Name

N2-cyclohexyl-6-methoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-cyclohexyl-6-methoxy-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

COc1nc(NC2CCCCC2)nc(Nc(cc2)ccc2[N+]([O-])=O)n1

InChI

InChI=1S/C16H20N6O3/c1-25-16-20-14(17-11-5-3-2-4-6-11)19-15(21-16)18-12-7-9-13(10-8-12)22(23)24/h7-11H,2-6H2,1H3,(H2,17,18,19,20,21)

InChI Key

JHZZVCZBCQUKPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.966

Distribution Coefficient, logD

4.966

Water Solubility, LogSw

-4.67

Polar Surface Area

91.972

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

K890-0065 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K890-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0065?
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What is the minimum amount of K890-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0065
  • 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 K890-0065 available by request