C066-5739 Screening compound: 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetic acid

C066-5739 Screening compound: 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetic acid
C066-5739 Screening compound: 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5739
2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetic acid

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

C066-5739

Molecular Formula

C16H14N4O4 (C16 H14 N4 O4)

Compound Name

2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetic acid

IUPAC name

2-[1-methyl-7-(4-methylphenyl)-24-dioxo-1H2H3H4H-[13]diazino[45-d]pyrimidin-3-yl]acetic acid

SMILES

Cc(cc1)ccc1-c(nc1)nc(N(C)C(N2CC(O)=O)=O)c1C2=O

InChI

InChI=1S/C16H14N4O4/c1-9-3-5-10(6-4-9)13-17-7-11-14(18-13)19(2)16(24)20(15(11)23)8-12(21)22/h3-7H,8H2,1-2H3,(H,21,22)

InChI Key

VGLBONIVCOSNKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.045

Distribution Coefficient, logD

-2.983

Water Solubility, LogSw

-2.06

Polar Surface Area

80.064

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

C066-5739 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-5739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5739?
Check Price and Availability of C066-5739, 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 C066-5739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5739
  • 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 C066-5739 available by request