6284-0033 Screening compound: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

6284-0033 Screening compound: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
6284-0033 Screening compound: 8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6284-0033
8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propyl-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

6284-0033

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

8-(4-cyclohexylphenoxy)-1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(4-cyclohexylphenoxy)-13-dimethyl-7-propyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCn1c(Oc2ccc(C3CCCCC3)cc2)nc(N(C)C(N2C)=O)c1C2=O

InChI

InChI=1S/C22H28N4O3/c1-4-14-26-18-19(24(2)22(28)25(3)20(18)27)23-21(26)29-17-12-10-16(11-13-17)15-8-6-5-7-9-15/h10-13,15H,4-9,14H2,1-3H3

InChI Key

ARZYQNZJMJDUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.672

Distribution Coefficient, logD

5.672

Water Solubility, LogSw

-5.35

Polar Surface Area

49.923

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

6284-0033 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6284-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6284-0033?
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What is the minimum amount of 6284-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6284-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6284-0033
  • 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 6284-0033 available by request