K890-0074 Screening compound: N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

K890-0074 Screening compound: N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
K890-0074 Screening compound: N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0074
N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-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

K890-0074

Molecular Formula

C19H26N8O3 (C19 H26 N8 O3)

Compound Name

N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-[2-(morpholin-4-yl)ethyl]-N4-(4-nitrophenyl)-6-(pyrrolidin-1-yl)-135-triazine-24-diamine

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(N2CCCC2)nc(NCCN2CCOCC2)n1)=O

InChI

InChI=1S/C19H26N8O3/c28-27(29)16-5-3-15(4-6-16)21-18-22-17(20-7-10-25-11-13-30-14-12-25)23-19(24-18)26-8-1-2-9-26/h3-6H,1-2,7-14H2,(H2,20,21,22,23,24)

InChI Key

KROWHBHZYVNFLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08533402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.675

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.93

Polar Surface Area

99.380

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

K890-0074 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 K890-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0074?
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What is the minimum amount of K890-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0074
  • 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 K890-0074 available by request