M044-1385 Screening compound: methyl 2-{2-[7-(4-methoxyphenyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamido}benzoate

M044-1385 Screening compound: methyl 2-{2-[7-(4-methoxyphenyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamido}benzoate
M044-1385 Screening compound: methyl 2-{2-[7-(4-methoxyphenyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M044-1385
methyl 2-{2-[7-(4-methoxyphenyl)-4-oxo-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

M044-1385

Molecular Formula

C23H19N5O5 (C23 H19 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cccc1)c1NC(CN(C=Nc1c2cnc(-c(cc3)ccc3OC)n1)C2=O)=O)=O

InChI

InChI=1S/C23H19N5O5/c1-32-15-9-7-14(8-10-15)20-24-11-17-21(27-20)25-13-28(22(17)30)12-19(29)26-18-6-4-3-5-16(18)23(31)33-2/h3-11,13H,12H2,1-2H3,(H,26,29)

InChI Key

HRJSDIVXGQOUMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.43

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

2.587

Distribution Coefficient, logD

2.577

Water Solubility, LogSw

-3.11

Polar Surface Area

96.905

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

M044-1385 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M044-1385 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M044-1385?
Check Price and Availability of M044-1385, 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 M044-1385 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M044-1385
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M044-1385
  • 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 M044-1385 available by request