8012-2253 Screening compound: 1,3-dimethyl-7-(2-{[(2E)-1-methylpiperidin-2-ylidene]amino}ethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

8012-2253 Screening compound: 1,3-dimethyl-7-(2-{[(2E)-1-methylpiperidin-2-ylidene]amino}ethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
8012-2253 Screening compound: 1,3-dimethyl-7-(2-{[(2E)-1-methylpiperidin-2-ylidene]amino}ethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2253
1,3-dimethyl-7-(2-{[(2E)-1-methylpiperidin-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

8012-2253

Molecular Formula

C15H22N6O2 (C15 H22 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(CCCC1)/C1=N/CCn1c(C(N(C)C(N2C)=O)=O)c2nc1

InChI

InChI=1S/C15H22N6O2/c1-18-8-5-4-6-11(18)16-7-9-21-10-17-13-12(21)14(22)20(3)15(23)19(13)2/h10H,4-9H2,1-3H3

InChI Key

SPGRDSKEUKBZHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934283

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.120

Distribution Coefficient, logD

-3.996

Water Solubility, LogSw

-0.61

Polar Surface Area

55.275

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

11.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with 8012-2253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2253?
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What is the minimum amount of 8012-2253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2253
  • 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 8012-2253 available by request