4606-1795 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(octan-2-yl)acetamide

4606-1795 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(octan-2-yl)acetamide
4606-1795 Screening compound: 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(octan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-1795
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(octan-2-yl)acetamide

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

4606-1795

Molecular Formula

C17H27N5O3 (C17 H27 N5 O3)

Compound Name

2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(octan-2-yl)acetamide

IUPAC name

2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)-N-(octan-2-yl)acetamide

SMILES

CCCCCCC(C)NC(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1)=O

InChI

InChI=1S/C17H27N5O3/c1-5-6-7-8-9-12(2)19-13(23)10-22-11-18-15-14(22)16(24)21(4)17(25)20(15)3/h11-12H,5-10H2,1-4H3,(H,19,23)/t12-/m0/s1

InChI Key

QFCCNLAXILHCRU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03119557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.431

Distribution Coefficient, logD

2.431

Water Solubility, LogSw

-2.32

Polar Surface Area

67.145

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.70

References: we are preparing a list of scientific research reports with 4606-1795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-1795?
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What is the minimum amount of 4606-1795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-1795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-1795
  • 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 4606-1795 available by request