7282-5566 Screening compound: 1-benzyl-3,7-dimethyl-8-[(2-methylpropyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7282-5566 Screening compound: 1-benzyl-3,7-dimethyl-8-[(2-methylpropyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7282-5566 Screening compound: 1-benzyl-3,7-dimethyl-8-[(2-methylpropyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7282-5566
1-benzyl-3,7-dimethyl-8-[(2-methylpropyl)amino]-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

7282-5566

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

1-benzyl-3,7-dimethyl-8-[(2-methylpropyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

1-benzyl-37-dimethyl-8-[(2-methylpropyl)amino]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)CNc1nc(N(C)C(N(Cc2ccccc2)C2=O)=O)c2n1C

InChI

InChI=1S/C18H23N5O2/c1-12(2)10-19-17-20-15-14(21(17)3)16(24)23(18(25)22(15)4)11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,19,20)

InChI Key

HLZSCZDDARDCOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01881202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.022

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.26

Polar Surface Area

56.162

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

7282-5566 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7282-5566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7282-5566?
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What is the minimum amount of 7282-5566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7282-5566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7282-5566
  • 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 7282-5566 available by request