H025-3229 Screening compound: methyl 2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]phenoxy}acetate

H025-3229 Screening compound: methyl 2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]phenoxy}acetate
H025-3229 Screening compound: methyl 2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]phenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3229
methyl 2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]phenoxy}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

H025-3229

Molecular Formula

C21H24N4O5 (C21 H24 N4 O5)

Compound Name

methyl 2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]phenoxy}acetate

IUPAC name

methyl 2-{4-[(1E)-2-(13-diethyl-7-methyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}acetate

SMILES

CCN(c1c(C(N2CC)=O)n(C)c(/C=C/c(cc3)ccc3OCC(OC)=O)n1)C2=O

InChI

InChI=1S/C21H24N4O5/c1-5-24-19-18(20(27)25(6-2)21(24)28)23(3)16(22-19)12-9-14-7-10-15(11-8-14)30-13-17(26)29-4/h7-12H,5-6,13H2,1-4H3

InChI Key

AYZLZZKQOZZHEJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.395

Distribution Coefficient, logD

2.395

Water Solubility, LogSw

-2.61

Polar Surface Area

72.487

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

H025-3229 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-3229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3229?
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What is the minimum amount of H025-3229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3229
  • 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 H025-3229 available by request