7706-0440 Screening compound: 8-(hexylamino)-3-methyl-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7706-0440 Screening compound: 8-(hexylamino)-3-methyl-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7706-0440 Screening compound: 8-(hexylamino)-3-methyl-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0440
8-(hexylamino)-3-methyl-7-(propan-2-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

7706-0440

Molecular Formula

C15H25N5O2 (C15 H25 N5 O2)

Compound Name

8-(hexylamino)-3-methyl-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

8-(hexylamino)-3-methyl-7-(propan-2-yl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CCCCCCNc1nc(N(C)C(NC2=O)=O)c2n1C(C)C

InChI

InChI=1S/C15H25N5O2/c1-5-6-7-8-9-16-14-17-12-11(20(14)10(2)3)13(21)18-15(22)19(12)4/h10H,5-9H2,1-4H3,(H,16,17)(H,18,21,22)

InChI Key

PKJDYOXFKLMWMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05695511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.222

Distribution Coefficient, logD

3.221

Water Solubility, LogSw

-3.35

Polar Surface Area

65.220

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

7706-0440 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7706-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0440?
Check Price and Availability of 7706-0440, 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 7706-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0440
  • 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 7706-0440 available by request