L391-0878 Screening compound: methyl 4-{2-[7-(morpholin-4-yl)-4-oxo-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamido}benzoate

L391-0878 Screening compound: methyl 4-{2-[7-(morpholin-4-yl)-4-oxo-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamido}benzoate
L391-0878 Screening compound: methyl 4-{2-[7-(morpholin-4-yl)-4-oxo-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L391-0878
methyl 4-{2-[7-(morpholin-4-yl)-4-oxo-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamido}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

L391-0878

Molecular Formula

C20H20N6O5 (C20 H20 N6 O5)

Compound Name

methyl 4-{2-[7-(morpholin-4-yl)-4-oxo-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[7-(morpholin-4-yl)-4-oxo-3H4H-pyrimido[45-d][13]diazin-3-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CN(C=Nc1c2cnc(N3CCOCC3)n1)C2=O)=O)=O

InChI

InChI=1S/C20H20N6O5/c1-30-19(29)13-2-4-14(5-3-13)23-16(27)11-26-12-22-17-15(18(26)28)10-21-20(24-17)25-6-8-31-9-7-25/h2-5,10,12H,6-9,11H2,1H3,(H,23,27)

InChI Key

HJUVFEJNUIZNCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.883

Distribution Coefficient, logD

0.883

Water Solubility, LogSw

-2.27

Polar Surface Area

100.619

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L391-0878 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • 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 L391-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L391-0878?
Check Price and Availability of L391-0878, 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 L391-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L391-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L391-0878
  • 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 L391-0878 available by request