D187-0014 Screening compound: ethyl 4-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzoate

D187-0014 Screening compound: ethyl 4-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzoate
D187-0014 Screening compound: ethyl 4-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D187-0014
ethyl 4-{[4,6-bis(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

D187-0014

Molecular Formula

C20H25N5O5 (C20 H25 N5 O5)

Compound Name

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

IUPAC name

ethyl 4-{[46-bis(morpholin-4-yl)-135-triazin-2-yl]oxy}benzoate

SMILES

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

InChI

InChI=1S/C20H25N5O5/c1-2-29-17(26)15-3-5-16(6-4-15)30-20-22-18(24-7-11-27-12-8-24)21-19(23-20)25-9-13-28-14-10-25/h3-6H,2,7-14H2,1H3

InChI Key

QCYUDBMUMKOMCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-3.99

Polar Surface Area

77.983

Acid Dissociation Constant (pKa)

19.41

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D187-0014 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D187-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D187-0014?
Check Price and Availability of D187-0014, 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 D187-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D187-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D187-0014
  • 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 D187-0014 available by request