C429-1028 Screening compound: ethyl 2-[6-carbamoyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate

C429-1028 Screening compound: ethyl 2-[6-carbamoyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate
C429-1028 Screening compound: ethyl 2-[6-carbamoyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-1028
ethyl 2-[6-carbamoyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate

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

C429-1028

Molecular Formula

C25H25N5O7 (C25 H25 N5 O7)

Compound Name

ethyl 2-[6-carbamoyl-2-(3,5-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purin-7-yl]acetate

IUPAC name

ethyl 2-[6-carbamoyl-2-(35-dimethoxyphenyl)-9-(3-methoxyphenyl)-8-oxo-89-dihydro-7H-purin-7-yl]acetate

SMILES

CCOC(CN(c1c(N2c3cc(OC)ccc3)nc(-c3cc(OC)cc(OC)c3)nc1C(N)=O)C2=O)=O

InChI

InChI=1S/C25H25N5O7/c1-5-37-19(31)13-29-21-20(22(26)32)27-23(14-9-17(35-3)12-18(10-14)36-4)28-24(21)30(25(29)33)15-7-6-8-16(11-15)34-2/h6-12H,5,13H2,1-4H3,(H2,26,32)

InChI Key

VGHLNYPWKAITHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.721

Distribution Coefficient, logD

3.721

Water Solubility, LogSw

-4.17

Polar Surface Area

115.868

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C429-1028 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with C429-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-1028?
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What is the minimum amount of C429-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-1028
  • 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 C429-1028 available by request