D187-0035 Screening compound: 3-(2-{[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-1-phenylurea

D187-0035 Screening compound: 3-(2-{[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-1-phenylurea
D187-0035 Screening compound: 3-(2-{[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound D187-0035
3-(2-{[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-1-phenylurea

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

D187-0035

Molecular Formula

C22H31N7O2 (C22 H31 N7 O2)

Compound Name

3-(2-{[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}ethyl)-1-phenylurea

IUPAC name

3-(2-{[46-bis(piperidin-1-yl)-135-triazin-2-yl]oxy}ethyl)-1-phenylurea

SMILES

O=C(NCCOc1nc(N2CCCCC2)nc(N2CCCCC2)n1)Nc1ccccc1

InChI

InChI=1S/C22H31N7O2/c30-21(24-18-10-4-1-5-11-18)23-12-17-31-22-26-19(28-13-6-2-7-14-28)25-20(27-22)29-15-8-3-9-16-29/h1,4-5,10-11H,2-3,6-9,12-17H2,(H2,23,24,30)

InChI Key

LMCCBWSELFUBDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03719977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.27

Polar Surface Area

75.549

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

D187-0035 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

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 D187-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D187-0035?
Check Price and Availability of D187-0035, 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 D187-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D187-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D187-0035
  • 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 D187-0035 available by request