D187-0030 Screening compound: ethyl 4-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzoate

D187-0030 Screening compound: ethyl 4-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzoate
D187-0030 Screening compound: ethyl 4-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D187-0030
ethyl 4-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzoate

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

D187-0030

Molecular Formula

C18H23N5O4 (C18 H23 N5 O4)

Compound Name

ethyl 4-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzoate

IUPAC name

ethyl 4-{[4-(dimethylamino)-6-(morpholin-4-yl)-135-triazin-2-yl]oxy}benzoate

SMILES

CCOC(c(cc1)ccc1Oc1nc(N2CCOCC2)nc(N(C)C)n1)=O

InChI

InChI=1S/C18H23N5O4/c1-4-26-15(24)13-5-7-14(8-6-13)27-18-20-16(22(2)3)19-17(21-18)23-9-11-25-12-10-23/h5-8H,4,9-12H2,1-3H3

InChI Key

VVDIRUDKGIXIDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03721808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.038

Distribution Coefficient, logD

4.038

Water Solubility, LogSw

-4.03

Polar Surface Area

69.427

Acid Dissociation Constant (pKa)

19.41

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D187-0030 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D187-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D187-0030?
Check Price and Availability of D187-0030, 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 D187-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D187-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D187-0030
  • 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 D187-0030 available by request