7706-0403 Screening compound: 7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7706-0403 Screening compound: 7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7706-0403 Screening compound: 7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0403
7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(3-methylbutyl)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

7706-0403

Molecular Formula

C17H29N5O4 (C17 H29 N5 O4)

Compound Name

7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[2-hydroxy-3-(propan-2-yloxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)CCNc1nc(N(C)C(NC2=O)=O)c2n1CC(COC(C)C)O

InChI

InChI=1S/C17H29N5O4/c1-10(2)6-7-18-16-19-14-13(15(24)20-17(25)21(14)5)22(16)8-12(23)9-26-11(3)4/h10-12,23H,6-9H2,1-5H3,(H,18,19)(H,20,24,25)/t12-/m0/s1

InChI Key

UYEDARPHKIPRAS-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05696357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.133

Distribution Coefficient, logD

2.133

Water Solubility, LogSw

-2.49

Polar Surface Area

88.047

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.60

7706-0403 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7706-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0403?
Check Price and Availability of 7706-0403, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7706-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0403
  • 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 7706-0403 available by request