L391-0014 Screening compound: methyl 4-{2-[4-oxo-7-(pyrrolidin-1-yl)-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamido}benzoate

L391-0014 Screening compound: methyl 4-{2-[4-oxo-7-(pyrrolidin-1-yl)-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamido}benzoate
L391-0014 Screening compound: methyl 4-{2-[4-oxo-7-(pyrrolidin-1-yl)-3H,4H-pyrimido[4,5-d][1,3]diazin-3-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L391-0014
methyl 4-{2-[4-oxo-7-(pyrrolidin-1-yl)-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

L391-0014

Molecular Formula

C20H20N6O4 (C20 H20 N6 O4)

Compound Name

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

IUPAC name

methyl 4-{2-[4-oxo-7-(pyrrolidin-1-yl)-3H4H-pyrimido[45-d][13]diazin-3-yl]acetamido}benzoate

SMILES

COC(c(cc1)ccc1NC(CN(C=Nc1c2cnc(N3CCCC3)n1)C2=O)=O)=O

InChI

InChI=1S/C20H20N6O4/c1-30-19(29)13-4-6-14(7-5-13)23-16(27)11-26-12-22-17-15(18(26)28)10-21-20(24-17)25-8-2-3-9-25/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,23,27)

InChI Key

PBSNFSJWJGGBRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27250623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.710

Distribution Coefficient, logD

1.710

Water Solubility, LogSw

-2.45

Polar Surface Area

93.076

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L391-0014 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L391-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L391-0014?
Check Price and Availability of L391-0014, 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 L391-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L391-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L391-0014
  • 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 L391-0014 available by request