H025-3241 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]phenoxy}-N-(3-morpholinopropyl)acetamide

H025-3241 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]phenoxy}-N-(3-morpholinopropyl)acetamide
H025-3241 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]phenoxy}-N-(3-morpholinopropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3241
2-{4-[(E)-2-(1,3-diethyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-ethenyl]phenoxy}-N-(3-morpholinopropyl)acetamide

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

H025-3241

Molecular Formula

C27H36N6O5 (C27 H36 N6 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]phenoxy}-N-(3-morpholinopropyl)acetamide

IUPAC name

2-{4-[(1E)-2-(13-diethyl-7-methyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)ethenyl]phenoxy}-N-[3-(morpholin-4-yl)propyl]acetamide

SMILES

CCN(c1c(C(N2CC)=O)n(C)c(/C=C/c(cc3)ccc3OCC(NCCCN3CCOCC3)=O)n1)C2=O

InChI

InChI=1S/C27H36N6O5/c1-4-32-25-24(26(35)33(5-2)27(32)36)30(3)22(29-25)12-9-20-7-10-21(11-8-20)38-19-23(34)28-13-6-14-31-15-17-37-18-16-31/h7-12H,4-6,13-19H2,1-3H3,(H,28,34)

InChI Key

SHHGPWVIOIKLED-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.571

Distribution Coefficient, logD

1.148

Water Solubility, LogSw

-2.07

Polar Surface Area

87.840

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.15

References: we are preparing a list of scientific research reports with H025-3241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3241?
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What is the minimum amount of H025-3241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3241
  • 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 H025-3241 available by request