8012-5065 Screening compound: (E)-N'-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl]-N,N-dimethylmethanimidamide

8012-5065 Screening compound: (E)-N'-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl]-N,N-dimethylmethanimidamide
8012-5065 Screening compound: (E)-N'-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl]-N,N-dimethylmethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5065
(E)-N'-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl]-N,N-dimethylmethanimidamide

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

8012-5065

Molecular Formula

C12H18N6O2 (C12 H18 N6 O2)

Compound Name

(E)-N'-[2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl]-N,N-dimethylmethanimidamide

IUPAC name

(E)-N'-[2-(13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-7-yl)ethyl]-NN-dimethylmethanimidamide

SMILES

CN(C)/C=N/CCn1c(C(N(C)C(N2C)=O)=O)c2nc1

InChI

InChI=1S/C12H18N6O2/c1-15(2)7-13-5-6-18-8-14-10-9(18)11(19)17(4)12(20)16(10)3/h7-8H,5-6H2,1-4H3

InChI Key

KEJISEWIWSSGMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017936

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

278.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.714

Distribution Coefficient, logD

-3.082

Water Solubility, LogSw

-0.48

Polar Surface Area

54.832

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 8012-5065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5065?
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What is the minimum amount of 8012-5065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5065
  • 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 8012-5065 available by request