4236-1043 Screening compound: 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

4236-1043 Screening compound: 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
4236-1043 Screening compound: 3-methyl-7-(2-methylpropyl)-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-1043
3-methyl-7-(2-methylpropyl)-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-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

4236-1043

Molecular Formula

C16H19N7O2 (C16 H19 N7 O2)

Compound Name

3-methyl-7-(2-methylpropyl)-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

3-methyl-7-(2-methylpropyl)-8-[(2E)-2-[(pyridin-3-yl)methylidene]hydrazin-1-yl]-2367-tetrahydro-1H-purine-26-dione

SMILES

CC(C)Cn1c(N/N=C/c2cnccc2)nc(N(C)C(N2)=O)c1C2=O

InChI

InChI=1S/C16H19N7O2/c1-10(2)9-23-12-13(22(3)16(25)20-14(12)24)19-15(23)21-18-8-11-5-4-6-17-7-11/h4-8,10H,9H2,1-3H3,(H,19,21)(H,20,24,25)

InChI Key

JDENOKLLZVSQOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02982278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.366

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-2.29

Polar Surface Area

84.452

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 4236-1043 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-1043
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Delivery formats for 4236-1043
  • 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 4236-1043 available by request