M044-1167 Screening compound: N-(2,4-dimethoxyphenyl)-2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide

M044-1167 Screening compound: N-(2,4-dimethoxyphenyl)-2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide
M044-1167 Screening compound: N-(2,4-dimethoxyphenyl)-2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M044-1167
N-(2,4-dimethoxyphenyl)-2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide

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

M044-1167

Molecular Formula

C21H18N6O4 (C21 H18 N6 O4)

Compound Name

N-(2,4-dimethoxyphenyl)-2-[4-oxo-7-(pyridin-3-yl)-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-[4-oxo-7-(pyridin-3-yl)-3H4H-[13]diazino[45-d]pyrimidin-3-yl]acetamide

SMILES

COc(cc1)cc(OC)c1NC(CN(C=Nc1c2cnc(-c3cnccc3)n1)C2=O)=O

InChI

InChI=1S/C21H18N6O4/c1-30-14-5-6-16(17(8-14)31-2)25-18(28)11-27-12-24-20-15(21(27)29)10-23-19(26-20)13-4-3-7-22-9-13/h3-10,12H,11H2,1-2H3,(H,25,28)

InChI Key

XQMKEBWGWLCHHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.41

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

1.145

Distribution Coefficient, logD

0.144

Water Solubility, LogSw

-1.90

Polar Surface Area

92.880

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

8.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M044-1167 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Immunological Library (6760 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M044-1167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M044-1167?
Check Price and Availability of M044-1167, 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 M044-1167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M044-1167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M044-1167
  • 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 M044-1167 available by request