D179-0029 Screening compound: ethyl 2-{3-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl}acetate

D179-0029 Screening compound: ethyl 2-{3-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl}acetate
D179-0029 Screening compound: ethyl 2-{3-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D179-0029
ethyl 2-{3-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl}acetate

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

D179-0029

Molecular Formula

C18H26N8O5 (C18 H26 N8 O5)

Compound Name

ethyl 2-{3-[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl}acetate

IUPAC name

ethyl 2-{3-[46-bis(morpholin-4-yl)-135-triazin-2-yl]-2-imino-5-oxoimidazolidin-1-yl}acetate

SMILES

CCOC(CN(C(CN1c2nc(N3CCOCC3)nc(N3CCOCC3)n2)=O)C1=N)=O

InChI

InChI=1S/C18H26N8O5/c1-2-31-14(28)12-25-13(27)11-26(15(25)19)18-21-16(23-3-7-29-8-4-23)20-17(22-18)24-5-9-30-10-6-24/h19H,2-12H2,1H3

InChI Key

OUWMJGILSJZONT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

1.261

Distribution Coefficient, logD

0.199

Water Solubility, LogSw

-1.40

Polar Surface Area

106.447

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

8.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

D179-0029 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D179-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D179-0029?
Check Price and Availability of D179-0029, 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 D179-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D179-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D179-0029
  • 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 D179-0029 available by request