H025-3250 Screening compound: 2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]-2-methoxyphenoxy}-N~1~-methylacetamide

H025-3250 Screening compound: 2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]-2-methoxyphenoxy}-N~1~-methylacetamide
H025-3250 Screening compound: 2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]-2-methoxyphenoxy}-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3250
2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]-2-methoxyphenoxy}-N~1~-methylacetamide

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

H025-3250

Molecular Formula

C22H27N5O5 (C22 H27 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

CCN(c1c(C(N2CC)=O)n(C)c(/C=C/c(cc3)cc(OC)c3OCC(NC)=O)n1)C2=O

InChI

InChI=1S/C22H27N5O5/c1-6-26-20-19(21(29)27(7-2)22(26)30)25(4)17(24-20)11-9-14-8-10-15(16(12-14)31-5)32-13-18(28)23-3/h8-12H,6-7,13H2,1-5H3,(H,23,28)

InChI Key

WWMHBAOEXJEQAI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.671

Distribution Coefficient, logD

1.671

Water Solubility, LogSw

-2.27

Polar Surface Area

84.247

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

H025-3250 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 H025-3250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3250?
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What is the minimum amount of H025-3250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3250
  • 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 H025-3250 available by request