8012-2306 Screening compound: 1,3-dimethyl-7-(2-{[(2E)-piperidin-2-ylidene]amino}ethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8012-2306 Screening compound: 1,3-dimethyl-7-(2-{[(2E)-piperidin-2-ylidene]amino}ethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8012-2306 Screening compound: 1,3-dimethyl-7-(2-{[(2E)-piperidin-2-ylidene]amino}ethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2306
1,3-dimethyl-7-(2-{[(2E)-piperidin-2-ylidene]amino}ethyl)-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

8012-2306

Molecular Formula

C14H20N6O2 (C14 H20 N6 O2)

Compound Name

1,3-dimethyl-7-(2-{[(2E)-piperidin-2-ylidene]amino}ethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

13-dimethyl-7-(2-{[(2E)-piperidin-2-ylidene]amino}ethyl)-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(CC/N=C3/NCCCC3)cn1)C2=O

InChI

InChI=1S/C14H20N6O2/c1-18-12-11(13(21)19(2)14(18)22)20(9-17-12)8-7-16-10-5-3-4-6-15-10/h9H,3-8H2,1-2H3,(H,15,16)

InChI Key

NQEGISPISBHSNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934311

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

304.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.023

Distribution Coefficient, logD

-4.036

Water Solubility, LogSw

-1.21

Polar Surface Area

63.584

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

11.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.14

References: we are preparing a list of scientific research reports with 8012-2306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2306?
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What is the minimum amount of 8012-2306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2306
  • 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 8012-2306 available by request