D226-0045 Screening compound: 1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

D226-0045 Screening compound: 1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
D226-0045 Screening compound: 1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D226-0045
1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

D226-0045

Molecular Formula

C15H21N5O3 (C15 H21 N5 O3)

Compound Name

1,3-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-7-(2-methylprop-2-en-1-yl)-8-(morpholin-4-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(Cn1c(N2CCOCC2)nc(N(C)C(N2C)=O)c1C2=O)=C

InChI

InChI=1S/C15H21N5O3/c1-10(2)9-20-11-12(17(3)15(22)18(4)13(11)21)16-14(20)19-5-7-23-8-6-19/h1,5-9H2,2-4H3

InChI Key

ZSFDZAKDRGMQPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02227456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.007

Distribution Coefficient, logD

2.007

Water Solubility, LogSw

-1.91

Polar Surface Area

53.878

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with D226-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D226-0045?
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What is the minimum amount of D226-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D226-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D226-0045
  • 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 D226-0045 available by request