K890-0046 Screening compound: N2-hexyl-N4-(4-iodophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

K890-0046 Screening compound: N2-hexyl-N4-(4-iodophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
K890-0046 Screening compound: N2-hexyl-N4-(4-iodophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0046
N2-hexyl-N4-(4-iodophenyl)-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

K890-0046

Molecular Formula

C19H27IN6 (C19 H27 IN6)

Compound Name

N2-hexyl-N4-(4-iodophenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-hexyl-N4-(4-iodophenyl)-6-(pyrrolidin-1-yl)-135-triazine-24-diamine

SMILES

CCCCCCNc1nc(Nc(cc2)ccc2I)nc(N2CCCC2)n1

InChI

InChI=1S/C19H27IN6/c1-2-3-4-5-12-21-17-23-18(22-16-10-8-15(20)9-11-16)25-19(24-17)26-13-6-7-14-26/h8-11H,2-7,12-14H2,1H3,(H2,21,22,23,24,25)

InChI Key

DCOPGTPJFXFSNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.625

Distribution Coefficient, logD

7.625

Water Solubility, LogSw

-6.02

Polar Surface Area

54.379

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

References: we are preparing a list of scientific research reports with K890-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0046?
Check Price and Availability of K890-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K890-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0046
  • 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 K890-0046 available by request