M044-1214 Screening compound: ethyl 2-{2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamido}benzoate

M044-1214 Screening compound: ethyl 2-{2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamido}benzoate
M044-1214 Screening compound: ethyl 2-{2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M044-1214
ethyl 2-{2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-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

M044-1214

Molecular Formula

C22H18N6O4 (C22 H18 N6 O4)

Compound Name

ethyl 2-{2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamido}benzoate

IUPAC name

ethyl 2-{2-[4-oxo-7-(pyridin-3-yl)-3H4H-[13]diazino[45-d]pyrimidin-3-yl]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C=Nc1c2cnc(-c3cnccc3)n1)C2=O)=O)=O

InChI

InChI=1S/C22H18N6O4/c1-2-32-22(31)15-7-3-4-8-17(15)26-18(29)12-28-13-25-20-16(21(28)30)11-24-19(27-20)14-6-5-9-23-10-14/h3-11,13H,2,12H2,1H3,(H,26,29)

InChI Key

BLXVHABCXLKQNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.668

Distribution Coefficient, logD

0.667

Water Solubility, LogSw

-2.12

Polar Surface Area

98.459

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

M044-1214 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M044-1214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M044-1214?
Check Price and Availability of M044-1214, 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 M044-1214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M044-1214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M044-1214
  • 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 M044-1214 available by request